0 B9R0.37 C#CCC(=O)C(CC)CC 1458a_100000211163_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.37 C#CCC(=O)C(CC)CC 1458a_100011220946_100000210505 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.37 C#CCC(=O)C(CC)OC 1458a_100000747056_100000184674 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.37 C#CCC(=O)N(CC)CC 1626a_100000724800_100011220946 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.37 C#CCC(=O)N(CC)CC 527a_100000724800_100011220946 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.37 C=CCC(=O)C(CC)CC 1458a_100000210193_100000210505 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.37 C=CCC(=O)C(CC)CC 1458a_100000211163_100000210623 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.37 C=CCC(=O)C(CC)OC 1458a_100000747056_100000210623 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.37 C=CCC(=O)N(CC)CC 11a_100000724800_100000210193 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.37 C=CCC(=O)N(CC)CC 1626a_100000724800_100000210193 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.37 C=CCC(=O)N(CC)CC 240690a_100000724800_100000210193 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.37 C=CCC(=O)N(CC)CC 527a_100000724800_100000210193 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.37 CC#CC(=O)C(CC)CC 1458a_100000763181_100000210505 [0,0,0,0,0,0|1,0,1]=2 13 B9R0.37 CC=CC(=O)C(CC)CC 1458a_100000210699_100000210505 [0,0,0,0,0,0|1,0,1]=2 14 B9R0.37 CC=CC(=O)N(CC)CC 11a_100000724800_100000210699 [0,0,0,0,0,0|2,0,1]=3 15 B9R0.37 CC=CC(=O)N(CC)CC 1626a_100000724800_100000210699 [0,0,0,0,0,0|2,0,1]=3 16 B9R0.37 CC=CC(=O)N(CC)CC 240690a_100000724800_100000210699 [0,0,0,0,0,0|2,0,1]=3 17 B9R0.37 CCC(CC)C(=O)C=CBr 1458a_100016273825_100000210505 [0,0,0,0,0,0|2,0,1]=3 18 B9R0.37 CCC(CC)C(=O)C=CCl 1458a_200016279998_100000210505 [0,0,0,0,0,0|2,0,1]=3 19 B9R0.37 CCC(CC)C(=O)C=CI 1458a_100016256311_100000210505 [0,0,0,0,0,0|2,0,1]=3 20 B9R0.37 CCC(CC)C(=O)CC#N 1458a_100000211163_100011214920 [0,0,0,0,0,0|2,0,1]=3 21 B9R0.37 CCC(CC)C(=O)CC#N 1458a_100051588842_100000210505 [0,0,0,0,0,0|2,0,1]=3 22 B9R0.37 CCC(CC)C(=O)CCF 1458a_100000211163_100011217306 [0,0,0,0,0,0|2,0,0]=2 23 B9R0.37 CCC(CC)C(=O)CCO 1458a_100000211163_100000211926 [0,0,0,0,0,0|2,0,0]=2 24 B9R0.37 CCC(CC)C(=O)CCO 1458a_100011216618_100000210505 [0,0,0,0,0,0|2,0,0]=2 25 B9R0.37 CCC(CC)C(=O)COC 1458a_100000210968_100000210505 [0,0,0,0,0,0|2,0,0]=2 26 B9R0.37 CCC(CC)C(=O)CSC 1458a_100000184570_100000210505 [0,0,0,0,0,0|2,0,0]=2 27 B9R0.37 CCC(CC)C(=O)NNC 22a_100016993582_100000211163 [0,0,0,0,0,0|2,0,0]=2 28 B9R0.37 CCC(CC)N(C)CCF 2230a_100000737045_100011217306 [0,0,0,0,0,0|4,0,0]=4 29 B9R0.37 CCC(CC)N(C)CCF 269982a_100000737045_100011217306 [0,0,0,0,0,0|4,0,0]=4 30 B9R0.37 CCC(CC)N(C)CCO 2230a_100000737045_100000211926 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.37 CCC(CC)N(C)CCO 269982a_100000210263_100000210505 [0,0,0,0,0,0|4,0,0]=4 32 B9R0.37 CCC(CC)N(C)CCO 269982a_100000737045_100000211926 [0,0,0,0,0,0|4,0,0]=4 33 B9R0.37 CCC(CC)N(C)CCO 270004a_100000210263_100000210860 [0,0,0,0,0,0|4,0,0]=4 34 B9R0.37 CCC(CC)N(C)COC 2230a_100000737045_100000766300 [0,0,0,0,0,0|4,0,0]=4 35 B9R0.37 CCC(CC)N(C)COC 269982a_100000737045_100000766300 [0,0,0,0,0,0|4,0,0]=4 36 B9R0.37 CCC(CC)N(C)CSC 2230a_100000737045_100011218213 [0,0,0,0,0,0|4,0,0]=4 37 B9R0.37 CCC(CC)N(C)CSC 269982a_100000737045_100011218213 [0,0,0,0,0,0|4,0,0]=4 38 B9R0.37 CCC(OC)C(=O)CC#N 1458a_100000747056_100011214920 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.37 CCC(OC)C(=O)CCF 1458a_100000747056_100011217306 [0,0,0,0,0,0|3,0,0]=3 40 B9R0.37 CCC(OC)C(=O)CCO 1458a_100000747056_100000211926 [0,0,0,0,0,0|3,0,0]=3 41 B9R0.37 CCC(OC)C(=O)NNC 22a_100016993582_100000747056 [0,0,0,0,0,0|3,0,0]=3 42 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211163_100000210303 [0,0,0,0,0,0|1,0,0]=1 43 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211992_100000210505 [0,0,0,0,0,0|1,0,0]=1 44 B9R0.37 CCCC(=O)C(CC)OC 1458a_100000747056_100000210303 [0,0,0,0,0,0|2,0,0]=2 45 B9R0.37 CCCC(=O)C(OC)OC 1458a_100000046285_100000210303 [0,0,0,0,0,0|3,0,0]=3 46 B9R0.37 CCCC(=O)N(CC)CC 11a_100000724800_100000211992 [0,0,0,0,0,0|2,0,0]=2 47 B9R0.37 CCCC(=O)N(CC)CC 1626a_100000724800_100000211992 [0,0,0,0,0,0|2,0,0]=2 48 B9R0.37 CCCC(=O)N(CC)CC 240690a_100000724800_100000211992 [0,0,0,0,0,0|2,0,0]=2 49 B9R0.37 CCCC(=O)N(CC)CC 527a_100000724800_100000211992 [0,0,0,0,0,0|2,0,0]=2 50 B9R0.37 CCCC(C)C(CC)OC 34a_200011218412_200000210301 [0,0,0,0,0,0|3,0,1]=4 51 B9R0.37 CCCC(C)C(CC)OC 7a_200011218412_200000210301 [0,0,0,0,0,0|3,0,1]=4 52 B9R0.37 CCCC(C)C(CC)O[13CH3] 34a_200011218412_200025704644 [0,0,0,0,0,0|3,0,1]=4 53 B9R0.37 CCCC(C)C(CC)O[13CH3] 7a_200011218412_200025704644 [0,0,0,0,0,0|3,0,1]=4 54 B9R0.37 CCCC(C)N(CC)CC 2230a_100000724800_100000766640 [0,0,0,0,0,0|3,0,1]=4 55 B9R0.37 CCCC(C)N(CC)CC 269956a_100000042499_100000766640 [0,0,0,0,0,0|3,0,1]=4 56 B9R0.37 CCCC(C)N(CC)CC 269982a_100000724800_100000766640 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.37 CCCC(C)N(CC)CC 270004a_100000724800_100000211909 [0,0,0,0,0,0|3,0,1]=4 58 B9R0.37 CCCN(C)C(CC)CC 2230a_100000737045_100000210303 [0,0,0,0,0,0|3,0,0]=3 59 B9R0.37 CCCN(C)C(CC)CC 2230a_100015185089_200000210301 [0,0,0,0,0,0|3,0,0]=3 60 B9R0.37 CCCN(C)C(CC)CC 269982a_100000737045_100000210303 [0,0,0,0,0,0|3,0,0]=3 61 B9R0.37 CCCN(C)C(CC)CC 269982a_100000747261_100000210505 [0,0,0,0,0,0|3,0,0]=3 62 B9R0.37 CCCN(C)C(CC)CC 269982a_100015185089_200000210301 [0,0,0,0,0,0|3,0,0]=3 63 B9R0.37 CCCN(C)C(CC)CC 270004a_100000747261_100000210860 [0,0,0,0,0,0|3,0,0]=3 64 B9R0.37 CCCN([13CH3])C(CC)CC 2230a_100015185089_200025704644 [0,0,0,0,0,0|3,0,0]=3 65 B9R0.37 CCCN([13CH3])C(CC)CC 269982a_100015185089_200025704644 [0,0,0,0,0,0|3,0,0]=3 66 B9R0.37 CCN(CC)C(=O)C=CBr 1626a_100000724800_100016273825 [0,0,0,0,0,0|3,0,1]=4 67 B9R0.37 CCN(CC)C(=O)C=CBr 240690a_100000724800_100016273825 [0,0,0,0,0,0|3,0,1]=4 68 B9R0.37 CCN(CC)C(=O)C=CCl 11a_100000724800_200016279998 [0,0,0,0,0,0|3,0,1]=4 69 B9R0.37 CCN(CC)C(=O)C=CCl 1626a_100000724800_200016279998 [0,0,0,0,0,0|3,0,1]=4 70 B9R0.37 CCN(CC)C(=O)C=CCl 240690a_100000724800_200016279998 [0,0,0,0,0,0|3,0,1]=4 71 B9R0.37 CCN(CC)C(=O)C=CI 1626a_100000724800_100016256311 [0,0,0,0,0,0|3,0,1]=4 72 B9R0.37 CCN(CC)C(=O)CC#N 1626a_100000724800_100051588842 [0,0,0,0,0,0|3,0,1]=4 73 B9R0.37 CCN(CC)C(=O)CC#N 240690a_100000724800_100051588842 [0,0,0,0,0,0|3,0,1]=4 74 B9R0.37 CCN(CC)C(=O)CCO 240690a_100000724800_100011216618 [0,0,0,0,0,0|3,0,0]=3 75 B9R0.37 CCN(CC)C(=O)CNC 2230a_100000174916_200000210301 [0,0,0,0,0,0|3,0,0]=3 76 B9R0.37 CCN(CC)C(=O)CNC 2230a_106832991635_100000211521 [0,0,0,0,0,0|3,0,0]=3 77 B9R0.37 CCN(CC)C(=O)CNC 34a_100102657272_100000211521 [0,0,0,0,0,0|3,0,0]=3 78 B9R0.37 CCN(CC)C(=O)CNC 7a_106832991635_100000211521 [0,0,0,0,0,0|3,0,0]=3 79 B9R0.37 CCN(CC)C(=O)CN[13CH3] 2230a_100000174916_200025704644 [0,0,0,0,0,0|3,0,0]=3 80 B9R0.37 CCN(CC)C(=O)COC 11a_100000724800_100000210968 [0,0,0,0,0,0|3,0,0]=3 81 B9R0.37 CCN(CC)C(=O)COC 1626a_100000724800_100000210968 [0,0,0,0,0,0|3,0,0]=3 82 B9R0.37 CCN(CC)C(=O)COC 240690a_100000724800_100000210968 [0,0,0,0,0,0|3,0,0]=3 83 B9R0.37 CCN(CC)C(=O)COC 34a_100138415774_100000211521 [0,0,0,0,0,0|3,0,0]=3 84 B9R0.37 CCN(CC)C(=O)COC 527a_100000724800_100000210968 [0,0,0,0,0,0|3,0,0]=3 85 B9R0.37 CCN(CC)C(=O)COC 7a_200000238847_200000210301 [0,0,0,0,0,0|3,0,0]=3 86 B9R0.37 CCN(CC)C(=O)CO[13CH3] 7a_200000238847_200025704644 [0,0,0,0,0,0|3,0,0]=3 87 B9R0.37 CCN(CC)C(=O)CSC 11a_100000724800_100000184570 [0,0,0,0,0,0|3,0,0]=3 88 B9R0.37 CCN(CC)C(=O)CSC 1626a_100000724800_100000184570 [0,0,0,0,0,0|3,0,0]=3 89 B9R0.37 CCN(CC)C(=O)CSC 240690a_100000724800_100000184570 [0,0,0,0,0,0|3,0,0]=3 90 B9R0.37 CCN(CC)C(=O)CSC 527a_100000724800_100000184570 [0,0,0,0,0,0|3,0,0]=3 91 B9R0.37 CCN(CC)C(=O)CSC 62a_100000211521_200000210301 [0,0,0,0,0,0|3,0,0]=3 92 B9R0.37 CCN(CC)C(=O)CSC 62a_200000210301_100000211521 [0,0,0,0,0,0|3,0,0]=3 93 B9R0.37 CCN(CC)C(=O)CS[13CH3] 62a_100000211521_200025704644 [0,0,0,0,0,0|3,0,0]=3 94 B9R0.37 CCN(CC)C(=O)CS[13CH3] 62a_200025704644_100000211521 [0,0,0,0,0,0|3,0,0]=3 95 B9R0.37 CCNC(=O)C(CC)CC 11a_100015525214_100000211163 [0,0,0,0,0,0|1,0,0]=1 96 B9R0.37 CCNC(=O)C(CC)CC 240690a_100015525214_100000211163 [0,0,0,0,0,0|1,0,0]=1 97 B9R0.37 CCNC(=O)C(CC)CC 527a_100015525214_100000211163 [0,0,0,0,0,0|1,0,0]=1 98 B9R0.37 CCNC(=O)C(CC)OC 11a_100015525214_100000747056 [0,0,0,0,0,0|2,0,0]=2 99 B9R0.37 CCNC(=O)C(CC)OC 240690a_100015525214_100000747056 [0,0,0,0,0,0|2,0,0]=2 100 B9R0.37 CCNC(=O)C(CC)OC 527a_100015525214_100000747056 [0,0,0,0,0,0|2,0,0]=2 101 B9R0.37 CCNC(=O)C(OC)OC 11a_100015525214_100000046285 [0,0,0,0,0,0|3,0,0]=3 102 B9R0.37 CCNC(=O)C(OC)OC 240690a_100015525214_100000046285 [0,0,0,0,0,0|3,0,0]=3 103 B9R0.37 CCNC(=O)C(OC)OC 527a_100015525214_100000046285 [0,0,0,0,0,0|3,0,0]=3 104 B9R0.37 CCNC(=O)N(CC)CC 2708a_100015525214_100000724800 [0,0,0,0,0,0|2,0,0]=2 105 B9R0.37 CCNC(=O)N(CC)CC 273464a_100015525214_100000724800 [0,0,0,0,0,0|2,0,0]=2 106 B9R0.37 CCNC(C)C(CC)CC 269862a_100015525214_100011393642 [0,0,0,0,0,0|2,0,1]=3 107 B9R0.37 CCNC(C)C(CC)CC 270004a_100015525214_100011393642 [0,0,0,0,0,0|2,0,1]=3 108 B9R0.37 CCOC(=O)C(C=O)SC 62a_100000053139_200000210301 [0,0,0,0,0,0|2,0,1]=3 109 B9R0.37 CCOC(=O)C(C=O)SC 62a_200000210301_100000053139 [0,0,0,0,0,0|2,0,1]=3 110 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_100000053139_200025704644 [0,0,0,0,0,0|2,0,1]=3 111 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_200025704644_100000053139 [0,0,0,0,0,0|2,0,1]=3 112 B9R0.37 CCOC(=O)C(CC)NC 2230a_106832991635_100000212269 [0,0,0,0,0,0|1,0,0]=1 113 B9R0.37 CCOC(=O)C(CC)NC 34a_100102657272_100000212269 [0,0,0,0,0,0|1,0,0]=1 114 B9R0.37 CCOC(=O)C(CC)NC 7a_106832991635_100000212269 [0,0,0,0,0,0|1,0,0]=1 115 B9R0.37 CCOC(=O)C(CC)OC 34a_100011216719_200000210301 [0,0,0,0,0,0|1,0,0]=1 116 B9R0.37 CCOC(=O)C(CC)OC 34a_100138415774_100000212269 [0,0,0,0,0,0|1,0,0]=1 117 B9R0.37 CCOC(=O)C(CC)OC 7a_100011216719_200000210301 [0,0,0,0,0,0|1,0,0]=1 118 B9R0.37 CCOC(=O)C(CC)O[13CH3] 34a_100011216719_200025704644 [0,0,0,0,0,0|1,0,0]=1 119 B9R0.37 CCOC(=O)C(CC)O[13CH3] 7a_100011216719_200025704644 [0,0,0,0,0,0|1,0,0]=1 120 B9R0.37 CCOC(=O)C(CC)SC 62a_100000212269_200000210301 [0,0,0,0,0,0|1,0,0]=1 121 B9R0.37 CCOC(=O)C(CC)SC 62a_200000210301_100000212269 [0,0,0,0,0,0|1,0,0]=1 122 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_100000212269_200025704644 [0,0,0,0,0,0|1,0,0]=1 123 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_200025704644_100000212269 [0,0,0,0,0,0|1,0,0]=1 124 B9R0.37 CCOC(=O)C(NC)SC 34a_100102657272_100009893047 [0,0,0,0,0,0|2,0,0]=2 125 B9R0.37 CCOC(=O)C(OC)SC 34a_100138415774_100009893047 [0,0,0,0,0,0|2,0,0]=2 126 B9R0.37 CCOC(=O)C(SC)SC 62a_100009893047_200000210301 [0,0,0,0,0,0|2,0,0]=2 127 B9R0.37 CCOC(=O)C(SC)SC 62a_200000210301_100009893047 [0,0,0,0,0,0|2,0,0]=2 128 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_100009893047_200025704644 [0,0,0,0,0,0|2,0,0]=2 129 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_200025704644_100009893047 [0,0,0,0,0,0|2,0,0]=2 130 B9R0.37 CCOC(C)C(OC)OC 34a_100000754440_100000210202 [0,0,0,0,0,0|3,0,1]=4 131 B9R0.37 CCOC(C)C(OC)OC 34a_100121572206_100011222894 [0,0,0,0,0,0|3,0,1]=4 132 B9R0.37 CCOC(C)C(OC)OC 7a_100000754440_100000210202 [0,0,0,0,0,0|3,0,1]=4 133 B9R0.37 CNNC(=O)C(OC)OC 22a_100016993582_100000046285 [0,0,0,0,0,0|4,0,0]=4 134 B9R0.37 COC(OC)C(=O)CCF 1458a_100000046285_100011217306 [0,0,0,0,0,0|4,0,0]=4 135 B9R0.37 COC(OC)C(=O)CCO 1458a_100000046285_100000211926 [0,0,0,0,0,0|4,0,0]=4 136 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [1,0,0,0,0,0|1,0,2]=4 137 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011192722_100000184674 [1,0,0,0,0,0|1,0,2]=4 138 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011220946_100000758301 [1,0,0,0,0,0|1,0,2]=4 139 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [1,0,0,0,0,0|1,0,2]=4 140 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [1,0,0,0,0,0|1,0,2]=4 141 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [1,0,0,0,0,0|1,0,2]=4 142 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [1,0,0,0,0,0|1,0,2]=4 143 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [1,0,0,0,0,0|1,0,2]=4 144 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [1,0,0,0,0,0|1,0,2]=4 145 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [1,0,0,0,0,0|1,0,2]=4 146 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [1,0,0,0,0,0|1,0,2]=4 147 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [1,0,0,0,0,0|1,0,1]=3 148 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [1,0,0,0,0,0|1,0,1]=3 149 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [1,0,0,0,0,0|2,0,1]=4 150 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [1,0,0,0,0,0|2,0,1]=4 151 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [1,0,0,0,0,0|2,0,1]=4 152 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [1,0,0,0,0,0|2,0,1]=4 153 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [1,0,0,0,0,0|2,0,1]=4 154 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [1,0,0,0,0,0|2,0,1]=4 155 B8R0.3 CCC(C)C(=O)CC#N 1458a_100011192722_100011214920 [1,0,0,0,0,0|2,0,1]=4 156 B8R0.3 CCC(C)C(=O)CC#N 1458a_100051588842_100000758301 [1,0,0,0,0,0|2,0,1]=4 157 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [1,0,0,0,0,0|2,0,0]=3 158 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [1,0,0,0,0,0|2,0,0]=3 159 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [1,0,0,0,0,0|2,0,0]=3 160 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [1,0,0,0,0,0|2,0,0]=3 161 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [1,0,0,0,0,0|2,0,0]=3 162 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [1,0,0,0,0,0|2,0,0]=3 163 B8R0.3 CCC(C)C(C)OCF 7a_100011215189_100015361967 [1,0,0,0,0,0|2,0,1]=4 164 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [1,0,0,0,0,0|3,0,0]=4 165 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [1,0,0,0,0,0|3,0,0]=4 166 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [1,0,0,0,0,0|3,0,0]=4 167 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [1,0,0,0,0,0|2,0,1]=4 168 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [1,0,0,0,0,0|2,0,1]=4 169 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [1,0,0,0,0,0|1,0,0]=2 170 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [1,0,0,0,0,0|1,0,0]=2 171 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [1,0,0,0,0,0|2,0,0]=3 172 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [1,0,0,0,0,0|2,0,0]=3 173 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [1,0,0,0,0,0|2,0,0]=3 174 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [1,0,0,0,0,0|3,0,0]=4 175 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 176 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 177 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 178 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 179 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [1,0,0,0,0,0|3,0,0]=4 180 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [1,0,0,0,0,0|3,0,0]=4 181 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [1,0,0,0,0,0|3,0,0]=4 182 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [1,0,0,0,0,0|3,0,0]=4 183 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [1,0,0,0,0,0|3,0,0]=4 184 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [1,0,0,0,0,0|3,0,0]=4 185 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [1,0,0,0,0,0|3,0,0]=4 186 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [1,0,0,0,0,0|3,0,0]=4 187 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [1,0,0,0,0,0|3,0,0]=4 188 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [1,0,0,0,0,0|3,0,0]=4 189 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [1,0,0,0,0,0|3,0,0]=4 190 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [1,0,0,0,0,0|3,0,0]=4 191 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 192 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 193 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 194 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [1,0,0,0,0,0|3,0,0]=4 195 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 196 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 197 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 198 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 199 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 200 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [1,0,0,0,0,0|3,0,0]=4 201 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [1,0,0,0,0,0|3,0,0]=4 202 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [1,0,0,0,0,0|3,0,0]=4 203 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [1,0,0,0,0,0|3,0,0]=4 204 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [1,0,0,0,0,0|2,0,1]=4 205 B8R0.3 CCNC(=O)C(C)C#N 11a_100015525214_100000753662 [1,0,0,0,0,0|2,0,1]=4 206 B8R0.3 CCNC(=O)C(C)C#N 240690a_100015525214_100000753662 [1,0,0,0,0,0|2,0,1]=4 207 B8R0.3 CCNC(=O)C(C)C#N 527a_100015525214_100000753662 [1,0,0,0,0,0|2,0,1]=4 208 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [1,0,0,0,0,0|1,0,0]=2 209 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [1,0,0,0,0,0|1,0,0]=2 210 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [1,0,0,0,0,0|1,0,0]=2 211 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [1,0,0,0,0,0|2,0,0]=3 212 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [1,0,0,0,0,0|2,0,0]=3 213 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [1,0,0,0,0,0|2,0,0]=3 214 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [1,0,0,0,0,0|2,0,0]=3 215 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [1,0,0,0,0,0|2,0,0]=3 216 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [1,0,0,0,0,0|2,0,0]=3 217 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [1,0,0,0,0,0|2,0,0]=3 218 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [1,0,0,0,0,0|2,0,0]=3 219 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [1,0,0,0,0,0|2,0,0]=3 220 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [1,0,0,0,0,0|2,0,0]=3 221 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [1,0,0,0,0,0|2,0,0]=3 222 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [1,0,0,0,0,0|2,0,0]=3 223 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [1,0,0,0,0,0|2,0,0]=3 224 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [1,0,0,0,0,0|2,0,0]=3 225 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [1,0,0,0,0,0|2,0,0]=3 226 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [1,0,0,0,0,0|2,0,0]=3 227 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [1,0,0,0,0,0|2,0,0]=3 228 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [1,0,0,0,0,0|2,0,0]=3 229 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [1,0,0,0,0,0|2,0,0]=3 230 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [1,0,0,0,0,0|3,0,0]=4 231 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [1,0,0,0,0,0|2,0,0]=3 232 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [1,0,0,0,0,0|2,0,0]=3 233 B8R0.3 CCNC(C)C(C)CC 269862a_100015525214_100000210599 [1,0,0,0,0,0|2,0,1]=4 234 B8R0.3 CCNC(C)C(C)CC 270004a_100015525214_100000210599 [1,0,0,0,0,0|2,0,1]=4 235 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [1,0,0,0,0,0|2,0,1]=4 236 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [1,0,0,0,0,0|2,0,1]=4 237 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [1,0,0,0,0,0|2,0,1]=4 238 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [1,0,0,0,0,0|1,0,0]=2 239 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [1,0,0,0,0,0|1,0,0]=2 240 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [1,0,0,0,0,0|1,0,0]=2 241 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [1,0,0,0,0,0|1,0,0]=2 242 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [1,0,0,0,0,0|1,0,0]=2 243 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [1,0,0,0,0,0|1,0,0]=2 244 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [1,0,0,0,0,0|1,0,0]=2 245 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [1,0,0,0,0,0|1,0,0]=2 246 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [1,0,0,0,0,0|2,0,0]=3 247 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [1,0,0,0,0,0|2,0,0]=3 248 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [1,0,0,0,0,0|2,0,0]=3 249 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [1,0,0,0,0,0|2,0,0]=3 250 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [1,0,0,0,0,0|2,0,0]=3 251 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [1,0,0,0,0,0|2,0,0]=3 252 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [1,0,0,0,0,0|2,0,0]=3 253 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [1,0,0,0,0,0|2,0,0]=3 254 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [1,0,0,0,0,0|1,0,0]=2 255 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [1,0,0,0,0,0|1,0,0]=2 256 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [1,0,0,0,0,0|1,0,1]=3 257 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [1,0,0,0,0,0|1,1,0]=3 258 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [1,0,0,0,0,0|1,1,0]=3 259 B8R0.3 CNNC(=O)C(C)OC 22a_100016993582_100000743197 [1,0,0,0,0,0|3,0,0]=4 260 B8R0.3 CNNC(=O)C(C)SC 22a_100016993582_100000149566 [1,0,0,0,0,0|3,0,0]=4 261 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [1,0,0,0,0,0|3,0,0]=4 262 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [1,0,0,0,0,0|3,0,0]=4 263 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [1,0,0,0,0,0|3,0,0]=4 264 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [1,0,0,0,0,0|3,0,0]=4 265 B8R0.11 CC=NNC(CC)CC 4a_100000756293_200000210099 [1,0,0,0,0,0|2,0,1]=4 266 B8R0.11 CCC(CC)COCF 7a_100000703878_100015361967 [1,0,0,0,0,0|1,0,1]=3 267 B8R0.11 CCC(CC)CSCF 62a_100011215472_100015361967 [1,0,0,0,0,0|1,1,1]=4 268 B8R0.11 CCC(CC)CSCF 62a_100015361967_100011215472 [1,0,0,0,0,0|1,1,1]=4 269 B8R0.11 CCC(CC)NCCF 2230a_100000199018_100011217306 [1,0,0,0,0,0|3,0,0]=4 270 B8R0.11 CCC(CC)NCCO 2230a_100000199018_100000211926 [1,0,0,0,0,0|3,0,0]=4 271 B8R0.11 CCC(CC)NCCO 270004a_100000210304_100000210860 [1,0,0,0,0,0|3,0,0]=4 272 B8R0.11 CCC(CC)NCOC 2230a_100000199018_100000766300 [1,0,0,0,0,0|3,0,0]=4 273 B8R0.11 CCC(CC)NCSC 2230a_100000199018_100011218213 [1,0,0,0,0,0|3,0,0]=4 274 B8R0.11 CCC(CC)OCCF 7a_100000688536_100011217306 [1,0,0,0,0,0|3,0,0]=4 275 B8R0.11 CCC(CC)OCCO 7a_100000688536_100000211926 [1,0,0,0,0,0|3,0,0]=4 276 B8R0.11 CCC(CC)SCCF 62a_100000210505_100011217306 [1,0,0,0,0,0|3,0,0]=4 277 B8R0.11 CCC(CC)SCCF 62a_100011217306_100000210505 [1,0,0,0,0,0|3,0,0]=4 278 B8R0.11 CCC(CC)SCCO 62a_100000210505_100000211926 [1,0,0,0,0,0|3,0,0]=4 279 B8R0.11 CCC(CC)SCCO 62a_100000211926_100000210505 [1,0,0,0,0,0|3,0,0]=4 280 B8R0.11 CCC(CC)SCOC 62a_100000210505_100000766300 [1,0,0,0,0,0|3,0,0]=4 281 B8R0.11 CCC(CC)SCOC 62a_100000766300_100000210505 [1,0,0,0,0,0|3,0,0]=4 282 B8R0.11 CCC(CC)SCSC 62a_100000210505_100011218213 [1,0,0,0,0,0|3,0,0]=4 283 B8R0.11 CCC(CC)SCSC 62a_100011218213_100000210505 [1,0,0,0,0,0|3,0,0]=4 284 B8R0.11 CCC(COCF)OC 34a_100011934954_100015361967 [1,0,0,0,0,0|2,0,1]=4 285 B8R0.11 CCC(COCF)OC 7a_100011934954_100015361967 [1,0,0,0,0,0|2,0,1]=4 286 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [1,0,0,0,0,0|2,0,1]=4 287 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [1,0,0,0,0,0|2,0,1]=4 288 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [1,0,0,0,0,0|2,0,1]=4 289 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [1,0,0,0,0,0|2,0,1]=4 290 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [1,0,0,0,0,0|2,0,1]=4 291 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [1,0,0,0,0,0|2,0,1]=4 292 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [1,0,0,0,0,0|2,0,1]=4 293 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [1,0,0,0,0,0|2,0,1]=4 294 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [1,0,0,0,0,0|2,0,1]=4 295 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [1,0,0,0,0,0|2,0,1]=4 296 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [1,0,0,0,0,0|2,0,1]=4 297 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [1,0,0,0,0,0|2,0,1]=4 298 B8R0.11 CCCCN(CC)CC 2230a_100000207695_100000210202 [1,0,0,0,0,0|2,0,1]=4 299 B8R0.11 CCCCN(CC)CC 2230a_100000724800_100000210211 [1,0,0,0,0,0|2,0,1]=4 300 B8R0.11 CCCCN(CC)CC 269956a_100000042499_100000210211 [1,0,0,0,0,0|2,0,1]=4 301 B8R0.11 CCCCN(CC)CC 269982a_100000207695_100000204670 [1,0,0,0,0,0|2,0,1]=4 302 B8R0.11 CCCCN(CC)CC 269982a_100000724800_100000210211 [1,0,0,0,0,0|2,0,1]=4 303 B8R0.11 CCCNC(CC)CC 2230a_100000199018_100000210303 [1,0,0,0,0,0|2,0,0]=3 304 B8R0.11 CCCNC(CC)CC 270004a_100020643023_100000210860 [1,0,0,0,0,0|2,0,0]=3 305 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [1,0,0,0,0,0|3,0,0]=4 306 B8R0.11 CCCOC(CC)CC 7a_100000688536_100000210303 [1,0,0,0,0,0|2,0,0]=3 307 B8R0.11 CCCSC(CC)CC 62a_100000210303_100000210505 [1,0,0,0,0,0|2,0,0]=3 308 B8R0.11 CCCSC(CC)CC 62a_100000210505_100000210303 [1,0,0,0,0,0|2,0,0]=3 309 B8R0.11 CCN(CC)COCF 7a_200015374951_100015361967 [1,0,0,0,0,0|2,0,1]=4 310 B8R0.11 CCNCC(CC)CC 2230a_100015525214_100011215472 [1,0,0,0,0,0|1,0,1]=3 311 B8R0.11 CCNCC(CC)CC 2230a_100102946423_100000210202 [1,0,0,0,0,0|1,0,1]=3 312 B8R0.11 CCNCC(CC)CC 269862a_100015525214_100000211137 [1,0,0,0,0,0|1,0,1]=3 313 B8R0.11 CCNCC(CC)CC 270004a_100015525214_100000211137 [1,0,0,0,0,0|1,0,1]=3 314 B8R0.11 CCNN=C(CC)CC 4a_100000756455_100000210860 [1,0,0,0,0,0|2,0,1]=4 315 B8R0.11 CCOCC(CC)CC 34a_100121572206_100011215472 [1,0,0,0,0,0|0,0,1]=2 316 B8R0.11 CCOCC(CC)CC 7a_100000703878_100000210202 [1,0,0,0,0,0|0,0,1]=2 317 B8R0.11 CCOCC(CC)OC 34a_100011934954_100000210202 [1,0,0,0,0,0|1,0,1]=3 318 B8R0.11 CCOCC(CC)OC 7a_100011934954_100000210202 [1,0,0,0,0,0|1,0,1]=3 319 B8R0.11 CCOCC(CN)OC 34a_102515437182_200000210301 [1,0,0,0,0,0|2,0,1]=4 320 B8R0.11 CCOCC(CN)O[13CH3] 34a_102515437182_200025704644 [1,0,0,0,0,0|2,0,1]=4 321 B8R0.11 CCOCC(OC)OC 34a_100011216393_100000210202 [1,0,0,0,0,0|2,0,1]=4 322 B8R0.11 CCOCC(OC)OC 34a_100121572206_100000211822 [1,0,0,0,0,0|2,0,1]=4 323 B8R0.11 CCOCN(CC)CC 269956a_100000042499_100000739092 [1,0,0,0,0,0|1,0,1]=3 324 B8R0.11 CCOCN(CC)CC 269982a_100000724800_100000739092 [1,0,0,0,0,0|1,0,1]=3 325 B8R0.11 CCOCN(CC)CC 7a_200015374951_100000210202 [1,0,0,0,0,0|1,0,1]=3 326 B8R0.11 CCSCC(CC)CC 62a_100000210202_100011215472 [1,0,0,0,0,0|0,1,1]=3 327 B8R0.11 CCSCC(CC)CC 62a_100011215472_100000210202 [1,0,0,0,0,0|0,1,1]=3 328 B8R0.20 C#CC(=O)C(CC)CC 1458a_100000211873_100000210505 [1,0,0,0,0,0|0,0,2]=3 329 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [1,0,0,0,0,0|0,0,2]=3 330 B8R0.20 C=CC(=O)N(CC)CC 1626a_100000724800_100000185746 [1,0,0,0,0,0|1,0,2]=4 331 B8R0.20 C=CC(=O)N(CC)CC 240690a_100000724800_200121576911 [1,0,0,0,0,0|1,0,2]=4 332 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [1,0,0,0,0,0|0,0,0]=1 333 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [1,0,0,0,0,0|0,0,0]=1 334 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [1,0,0,0,0,0|1,0,0]=2 335 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [1,0,0,0,0,0|1,0,0]=2 336 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [1,0,0,0,0,0|1,0,0]=2 337 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [1,0,0,0,0,0|1,0,0]=2 338 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [1,0,0,0,0,0|1,0,0]=2 339 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [1,0,0,0,0,0|2,0,0]=3 340 B8R0.20 CCC(=O)N(CC)CC 11a_100000724800_100000210414 [1,0,0,0,0,0|1,0,0]=2 341 B8R0.20 CCC(=O)N(CC)CC 1626a_100000724800_100000210414 [1,0,0,0,0,0|1,0,0]=2 342 B8R0.20 CCC(=O)N(CC)CC 240690a_100000724800_100000210414 [1,0,0,0,0,0|1,0,0]=2 343 B8R0.20 CCC(=O)N(CC)CC 527a_100000724800_100000210414 [1,0,0,0,0,0|1,0,0]=2 344 B8R0.20 CCC(C)N(CC)CC 2230a_100000724800_100000758301 [1,0,0,0,0,0|2,0,1]=4 345 B8R0.20 CCC(C)N(CC)CC 2230a_100000732650_100000210202 [1,0,0,0,0,0|2,0,1]=4 346 B8R0.20 CCC(C)N(CC)CC 269956a_100000042499_100000758301 [1,0,0,0,0,0|2,0,1]=4 347 B8R0.20 CCC(C)N(CC)CC 269982a_100000724800_100000758301 [1,0,0,0,0,0|2,0,1]=4 348 B8R0.20 CCC(C)N(CC)CC 269982a_100000732650_100000204670 [1,0,0,0,0,0|2,0,1]=4 349 B8R0.20 CCC(CC)C(=O)CF 1458a_100000211163_100015361967 [1,0,0,0,0,0|1,0,0]=2 350 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [1,0,0,0,0,0|1,0,0]=2 351 B8R0.20 CCC(CC)C(=O)NC 11a_106832991635_100000211163 [1,0,0,0,0,0|1,0,0]=2 352 B8R0.20 CCC(CC)C(=O)NC 1626a_100102657272_100000211163 [1,0,0,0,0,0|1,0,0]=2 353 B8R0.20 CCC(CC)C(=O)NC 240690a_100102657272_100000211163 [1,0,0,0,0,0|1,0,0]=2 354 B8R0.20 CCC(CC)C(=O)NC 527a_100102657272_100000211163 [1,0,0,0,0,0|1,0,0]=2 355 B8R0.20 CCC(CC)C(C)NC 269862a_106832991636_100011393642 [1,0,0,0,0,0|2,0,1]=4 356 B8R0.20 CCC(CC)C(C)NC 270004a_106832991635_100011393642 [1,0,0,0,0,0|2,0,1]=4 357 B8R0.20 CCC(CC)N(C)CC 2230a_100000732065_200000210301 [1,0,0,0,0,0|2,0,0]=3 358 B8R0.20 CCC(CC)N(C)CC 2230a_100000737045_100000210202 [1,0,0,0,0,0|2,0,0]=3 359 B8R0.20 CCC(CC)N(C)CC 269982a_100000225621_100000210505 [1,0,0,0,0,0|2,0,0]=3 360 B8R0.20 CCC(CC)N(C)CC 269982a_100000732065_200000210301 [1,0,0,0,0,0|2,0,0]=3 361 B8R0.20 CCC(CC)N(C)CC 269982a_100000737045_100000204670 [1,0,0,0,0,0|2,0,0]=3 362 B8R0.20 CCC(CC)N(C)CF 269982a_100000737045_100015361967 [1,0,0,0,0,0|3,0,0]=4 363 B8R0.20 CCC(CC)N([13CH3])CC 2230a_100000732065_200025704644 [1,0,0,0,0,0|2,0,0]=3 364 B8R0.20 CCC(CC)N([13CH3])CC 269982a_100000732065_200025704644 [1,0,0,0,0,0|2,0,0]=3 365 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [1,0,0,0,0,0|1,0,0]=2 366 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [1,0,0,0,0,0|1,0,0]=2 367 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [1,0,0,0,0,0|1,0,0]=2 368 B8R0.20 CCC(OC)C(=O)CF 1458a_100000747056_100015361967 [1,0,0,0,0,0|2,0,0]=3 369 B8R0.20 CCC(OC)C(=O)NC 11a_106832991635_100000747056 [1,0,0,0,0,0|2,0,0]=3 370 B8R0.20 CCC(OC)C(=O)NC 1626a_100102657272_100000747056 [1,0,0,0,0,0|2,0,0]=3 371 B8R0.20 CCC(OC)C(=O)NC 240690a_100102657272_100000747056 [1,0,0,0,0,0|2,0,0]=3 372 B8R0.20 CCC(OC)C(=O)NC 527a_100102657272_100000747056 [1,0,0,0,0,0|2,0,0]=3 373 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [1,0,0,0,0,0|1,0,0]=2 374 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [1,0,0,0,0,0|1,0,0]=2 375 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [1,0,0,0,0,0|1,0,0]=2 376 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [1,0,0,0,0,0|1,0,0]=2 377 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [1,0,0,0,0,0|1,0,0]=2 378 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [1,0,0,0,0,0|1,0,0]=2 379 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [1,0,0,0,0,0|1,0,0]=2 380 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [1,0,0,0,0,0|1,0,0]=2 381 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [1,0,0,0,0,0|1,0,0]=2 382 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [1,0,0,0,0,0|2,0,0]=3 383 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [1,0,0,0,0,0|2,0,0]=3 384 B8R0.20 CCN(CC)C(=O)NC 2708a_100102657272_100000724800 [1,0,0,0,0,0|2,0,0]=3 385 B8R0.20 CCN(CC)C(=O)NC 273464a_100102657272_100000724800 [1,0,0,0,0,0|2,0,0]=3 386 B8R0.20 CCN(CC)C(C)OC 269956a_100000042499_100009879195 [1,0,0,0,0,0|2,0,1]=4 387 B8R0.20 CCN(CC)C(C)OC 269982a_100000724800_100009879195 [1,0,0,0,0,0|2,0,1]=4 388 B8R0.20 CC[C@H](NC)C(=O)NC 2230a_106657271573_200000210301 [1,0,0,0,0,0|2,0,0]=3 389 B8R0.20 CC[C@H](NC)C(=O)NC 34a_106657271573_200000210301 [1,0,0,0,0,0|2,0,0]=3 390 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 2230a_106657271573_200025704644 [1,0,0,0,0,0|2,0,0]=3 391 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 34a_106657271573_200025704644 [1,0,0,0,0,0|2,0,0]=3 392 B8R0.20 CNC(=O)C(OC)OC 11a_106832991635_100000046285 [1,0,0,0,0,0|3,0,0]=4 393 B8R0.20 CNC(=O)C(OC)OC 240690a_100102657272_100000046285 [1,0,0,0,0,0|3,0,0]=4 394 B8R0.20 CNC(=O)C(OC)OC 527a_100102657272_100000046285 [1,0,0,0,0,0|3,0,0]=4 395 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [1,0,0,0,0,0|2,0,1]=4 396 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [1,0,0,0,0,0|2,0,0]=3 397 B8R0.20 CNC(OC)C(=O)OC 34a_100102657272_100000101307 [1,0,0,0,0,0|2,0,0]=3 398 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [1,0,0,0,0,0|2,0,1]=4 399 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [1,0,0,0,0,0|2,0,1]=4 400 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [1,0,0,0,0,0|2,0,1]=4 401 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [1,0,0,0,0,0|2,0,1]=4 402 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [1,0,0,0,0,0|2,0,1]=4 403 B8R0.20 COC(=O)C(CN)OC 34a_100000695228_200000210301 [1,0,0,0,0,0|2,0,0]=3 404 B8R0.20 COC(=O)C(CN)O[13CH3] 34a_100000695228_200025704644 [1,0,0,0,0,0|2,0,0]=3 405 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [1,0,0,0,0,0|2,0,0]=3 406 B8R0.20 COC(=O)C(CO)SC 62a_100012276630_200000210301 [1,0,0,0,0,0|2,0,0]=3 407 B8R0.20 COC(=O)C(CO)SC 62a_200000210301_100012276630 [1,0,0,0,0,0|2,0,0]=3 408 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_100012276630_200025704644 [1,0,0,0,0,0|2,0,0]=3 409 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_200025704644_100012276630 [1,0,0,0,0,0|2,0,0]=3 410 B8R0.20 COC(=O)C(OC)OC 34a_100000036821_200000210301 [1,0,0,0,0,0|2,0,0]=3 411 B8R0.20 COC(=O)C(OC)OC 34a_100138415774_100000101307 [1,0,0,0,0,0|2,0,0]=3 412 B8R0.20 COC(=O)C(OC)O[13CH3] 34a_100000036821_200025704644 [1,0,0,0,0,0|2,0,0]=3 413 B8R0.20 COC(=O)C(OC)SC 62a_100000101307_200000210301 [1,0,0,0,0,0|2,0,0]=3 414 B8R0.20 COC(=O)C(OC)SC 62a_200000210301_100000101307 [1,0,0,0,0,0|2,0,0]=3 415 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_100000101307_200025704644 [1,0,0,0,0,0|2,0,0]=3 416 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_200025704644_100000101307 [1,0,0,0,0,0|2,0,0]=3 417 B8R0.20 COC(OC)C(=O)CF 1458a_100000046285_100015361967 [1,0,0,0,0,0|3,0,0]=4 418 B10R0.20 CCC(CC)C(CC)OCF 34a_200011216187_100015361967 [0,1,0,0,0,0|2,0,1]=4 419 B10R0.20 CCC(CC)C(CC)OCF 7a_200011216187_100015361967 [0,1,0,0,0,0|2,0,1]=4 420 B10R0.20 CCCN(CC)C(CC)CC 2230a_100000732065_100000210303 [0,1,0,0,0,0|3,0,0]=4 421 B10R0.20 CCCN(CC)C(CC)CC 2230a_100015185089_100000210202 [0,1,0,0,0,0|3,0,0]=4 422 B10R0.20 CCCN(CC)C(CC)CC 269982a_100000226822_100000210505 [0,1,0,0,0,0|3,0,0]=4 423 B10R0.20 CCCN(CC)C(CC)CC 269982a_100000732065_100000210303 [0,1,0,0,0,0|3,0,0]=4 424 B10R0.20 CCCN(CC)C(CC)CC 269982a_100015185089_100000204670 [0,1,0,0,0,0|3,0,0]=4 425 B10R0.20 CCCN(CC)C(CC)CC 270004a_100000226822_100000210860 [0,1,0,0,0,0|3,0,0]=4 426 B10R0.20 CCCN(CF)C(CC)CC 269982a_100015185089_100015361967 [0,1,0,0,0,0|3,0,0]=4 427 B10R0.20 CCOC(CC)C(CC)CC 34a_200011216187_100000210202 [0,1,0,0,0,0|1,0,1]=3 428 B10R0.20 CCOC(CC)C(CC)CC 7a_200011216187_100000210202 [0,1,0,0,0,0|1,0,1]=3 429 B10R0.21 C#CCCC(=O)C(CC)CC 1458a_100000211163_100000753159 [0,1,0,0,0,0|1,0,1]=3 430 B10R0.21 C#CCCC(=O)C(CC)CC 1458a_100000692101_100000210505 [0,1,0,0,0,0|1,0,1]=3 431 B10R0.21 C#CCCC(=O)C(CC)OC 1458a_100000747056_100000753159 [0,1,0,0,0,0|2,0,1]=4 432 B10R0.21 C#CCCC(=O)N(CC)CC 11a_100000724800_100000692101 [0,1,0,0,0,0|2,0,1]=4 433 B10R0.21 C#CCCC(=O)N(CC)CC 1626a_100000724800_100000692101 [0,1,0,0,0,0|2,0,1]=4 434 B10R0.21 C#CCCC(=O)N(CC)CC 240690a_100000724800_100000692101 [0,1,0,0,0,0|2,0,1]=4 435 B10R0.21 C#CCCC(=O)N(CC)CC 527a_100000724800_100000692101 [0,1,0,0,0,0|2,0,1]=4 436 B10R0.21 C#CCNC(=O)C(CC)CC 11a_100000212058_100000211163 [0,1,0,0,0,0|1,0,1]=3 437 B10R0.21 C#CCNC(=O)C(CC)CC 1626a_100000212058_100000211163 [0,1,0,0,0,0|1,0,1]=3 438 B10R0.21 C#CCNC(=O)C(CC)CC 240690a_100000212058_100000211163 [0,1,0,0,0,0|1,0,1]=3 439 B10R0.21 C#CCNC(=O)C(CC)CC 527a_100000212058_100000211163 [0,1,0,0,0,0|1,0,1]=3 440 B10R0.21 C#CCNC(=O)C(CC)OC 11a_100000212058_100000747056 [0,1,0,0,0,0|2,0,1]=4 441 B10R0.21 C#CCNC(=O)C(CC)OC 1626a_100000212058_100000747056 [0,1,0,0,0,0|2,0,1]=4 442 B10R0.21 C#CCNC(=O)C(CC)OC 240690a_100000212058_100000747056 [0,1,0,0,0,0|2,0,1]=4 443 B10R0.21 C#CCNC(=O)C(CC)OC 527a_100000212058_100000747056 [0,1,0,0,0,0|2,0,1]=4 444 B10R0.21 C#CCNC(=O)N(CC)CC 2708a_100000212058_100000724800 [0,1,0,0,0,0|2,0,1]=4 445 B10R0.21 C#CCNC(=O)N(CC)CC 273464a_100000212058_100000724800 [0,1,0,0,0,0|2,0,1]=4 446 B10R0.21 C/C=C/CC(=O)C(CC)CC 1458a_100000211163_100102629194 [0,1,0,0,0,0|1,0,1]=3 447 B10R0.21 C/C=C/CC(=O)C(CC)OC 1458a_100000747056_100102629194 [0,1,0,0,0,0|2,0,1]=4 448 B10R0.21 C=CC=CC(=O)C(CC)CC 1458a_100016291481_100000210505 [0,1,0,0,0,0|1,0,2]=4 449 B10R0.21 C=CCCC(=O)C(CC)CC 1458a_100000211163_100000754431 [0,1,0,0,0,0|1,0,1]=3 450 B10R0.21 C=CCCC(=O)C(CC)CC 1458a_100000749702_100000210505 [0,1,0,0,0,0|1,0,1]=3 451 B10R0.21 C=CCCC(=O)C(CC)OC 1458a_100000747056_100000754431 [0,1,0,0,0,0|2,0,1]=4 452 B10R0.21 C=CCCC(=O)N(CC)CC 11a_100000724800_100000749702 [0,1,0,0,0,0|2,0,1]=4 453 B10R0.21 C=CCCC(=O)N(CC)CC 1626a_100000724800_100000749702 [0,1,0,0,0,0|2,0,1]=4 454 B10R0.21 C=CCCC(=O)N(CC)CC 240690a_100000724800_100000749702 [0,1,0,0,0,0|2,0,1]=4 455 B10R0.21 C=CCCC(=O)N(CC)CC 527a_100000724800_100000749702 [0,1,0,0,0,0|2,0,1]=4 456 B10R0.21 C=CCNC(=O)C(CC)CC 1626a_100020586998_100000211163 [0,1,0,0,0,0|1,0,1]=3 457 B10R0.21 C=CCNC(=O)C(CC)CC 240690a_100020586998_100000211163 [0,1,0,0,0,0|1,0,1]=3 458 B10R0.21 C=CCNC(=O)C(CC)CC 527a_100020586998_100000211163 [0,1,0,0,0,0|1,0,1]=3 459 B10R0.21 C=CCNC(=O)C(CC)OC 1626a_100020586998_100000747056 [0,1,0,0,0,0|2,0,1]=4 460 B10R0.21 C=CCNC(=O)C(CC)OC 240690a_100020586998_100000747056 [0,1,0,0,0,0|2,0,1]=4 461 B10R0.21 C=CCNC(=O)C(CC)OC 527a_100020586998_100000747056 [0,1,0,0,0,0|2,0,1]=4 462 B10R0.21 C=CCNC(=O)N(CC)CC 273464a_100020586998_100000724800 [0,1,0,0,0,0|2,0,1]=4 463 B10R0.21 CC#CCC(=O)C(CC)CC 1458a_100000211163_100000748600 [0,1,0,0,0,0|1,0,1]=3 464 B10R0.21 CC#CCC(=O)C(CC)OC 1458a_100000747056_100000748600 [0,1,0,0,0,0|2,0,1]=4 465 B10R0.21 CC=CCC(=O)C(CC)CC 1458a_100000211163_100000070051 [0,1,0,0,0,0|1,0,1]=3 466 B10R0.21 CC=CCC(=O)C(CC)CC 1458a_100121576822_100000210505 [0,1,0,0,0,0|1,0,1]=3 467 B10R0.21 CC=CCC(=O)C(CC)OC 1458a_100000747056_100000070051 [0,1,0,0,0,0|2,0,1]=4 468 B10R0.21 CC=CCC(=O)N(CC)CC 11a_100000724800_100121576822 [0,1,0,0,0,0|2,0,1]=4 469 B10R0.21 CC=CCC(=O)N(CC)CC 1626a_100000724800_100121576822 [0,1,0,0,0,0|2,0,1]=4 470 B10R0.21 CC=CCC(=O)N(CC)CC 240690a_100000724800_100121576822 [0,1,0,0,0,0|2,0,1]=4 471 B10R0.21 CC=CCC(=O)N(CC)CC 527a_100000724800_100121576822 [0,1,0,0,0,0|2,0,1]=4 472 B10R0.21 CC=NNC(=O)C(CC)CC 4a_100000189835_200000210099 [0,1,0,0,0,0|1,0,1]=3 473 B10R0.21 CC=NNC(=O)C(CC)OC 4a_100015186549_200000210099 [0,1,0,0,0,0|2,0,1]=4 474 B10R0.21 CCC#CC(=O)C(CC)CC 1458a_100011827653_100000210505 [0,1,0,0,0,0|1,0,0]=2 475 B10R0.21 CCC(CC)C(=O)C#CCO 1458a_100000049017_100000210505 [0,1,0,0,0,0|1,0,1]=3 476 B10R0.21 CCC(CC)C(=O)C=COC 1458a_100016268678_100000210505 [0,1,0,0,0,0|1,0,1]=3 477 B10R0.21 CCC(CC)C(=O)CCC#N 1458a_100000211163_100011215226 [0,1,0,0,0,0|1,0,1]=3 478 B10R0.21 CCC(CC)C(=O)CCC#N 1458a_100011934036_100000210505 [0,1,0,0,0,0|1,0,1]=3 479 B10R0.21 CCC(CC)C(=O)CCCF 1458a_100000211163_100011934791 [0,1,0,0,0,0|1,0,0]=2 480 B10R0.21 CCC(CC)C(=O)CCCO 1458a_100000211163_100011215043 [0,1,0,0,0,0|1,0,0]=2 481 B10R0.21 CCC(CC)C(=O)CCOC 1458a_100000211163_100000233755 [0,1,0,0,0,0|1,0,0]=2 482 B10R0.21 CCC(CC)C(=O)CCOC 1458a_100000749529_100000210505 [0,1,0,0,0,0|1,0,0]=2 483 B10R0.21 CCC(CC)C(=O)CCSC 1458a_100000174002_100000210505 [0,1,0,0,0,0|1,0,0]=2 484 B10R0.21 CCC(CC)C(=O)CCSC 1458a_100000211163_100000751147 [0,1,0,0,0,0|1,0,0]=2 485 B10R0.21 CCC(CC)C(=O)NCC#N 1626a_100000734998_100000211163 [0,1,0,0,0,0|1,0,1]=3 486 B10R0.21 CCC(CC)C(=O)NCC#N 527a_100000734998_100000211163 [0,1,0,0,0,0|1,0,1]=3 487 B10R0.21 CCC(CC)C(=O)NCCF 11a_100000724931_100000211163 [0,1,0,0,0,0|1,0,0]=2 488 B10R0.21 CCC(CC)C(=O)NCCF 1626a_100000724931_100000211163 [0,1,0,0,0,0|1,0,0]=2 489 B10R0.21 CCC(CC)C(=O)NCCF 240690a_100000724931_100000211163 [0,1,0,0,0,0|1,0,0]=2 490 B10R0.21 CCC(CC)C(=O)NCCF 527a_100000724931_100000211163 [0,1,0,0,0,0|1,0,0]=2 491 B10R0.21 CCC(CC)C(=O)NCCO 240690a_100000210304_100000211163 [0,1,0,0,0,0|1,0,0]=2 492 B10R0.21 CCC(CC)C(=O)NCCO 527a_100000210304_100000211163 [0,1,0,0,0,0|1,0,0]=2 493 B10R0.21 CCC(CC)C(=O)OCNC 2230a_106832991635_100000140015 [0,1,0,0,0,0|0,0,0]=1 494 B10R0.21 CCC(CC)C(=O)OCNC 34a_100102657272_100000140015 [0,1,0,0,0,0|0,0,0]=1 495 B10R0.21 CCC(CC)C(=O)OCNC 7a_106832991635_100000140015 [0,1,0,0,0,0|0,0,0]=1 496 B10R0.21 CCC(CC)C(=O)OCOC 34a_100138415774_100000140015 [0,1,0,0,0,0|0,0,0]=1 497 B10R0.21 CCC(CC)C(=O)OCSC 62a_100000140015_200000210301 [0,1,0,0,0,0|0,0,0]=1 498 B10R0.21 CCC(CC)C(=O)OCSC 62a_200000210301_100000140015 [0,1,0,0,0,0|0,0,0]=1 499 B10R0.21 CCC(CC)C(=O)OCS[13CH3] 62a_100000140015_200025704644 [0,1,0,0,0,0|0,0,0]=1 500 B10R0.21 CCC(CC)C(=O)OCS[13CH3] 62a_200025704644_100000140015 [0,1,0,0,0,0|0,0,0]=1 501 B10R0.21 CCC(CC)C(C)NCCF 269862a_100000724931_100011393642 [0,1,0,0,0,0|2,0,1]=4 502 B10R0.21 CCC(CC)C(C)NCCO 269862a_100000210304_100011393642 [0,1,0,0,0,0|2,0,1]=4 503 B10R0.21 CCC(CC)C(C)NCCO 270004a_100000210304_100011393642 [0,1,0,0,0,0|2,0,1]=4 504 B10R0.21 CCC(CC)N(C)CCCF 2230a_100000737045_100011934791 [0,1,0,0,0,0|3,0,0]=4 505 B10R0.21 CCC(CC)N(C)CCCF 269982a_100000737045_100011934791 [0,1,0,0,0,0|3,0,0]=4 506 B10R0.21 CCC(CC)N(C)CCCO 2230a_100000737045_100000230001 [0,1,0,0,0,0|3,0,0]=4 507 B10R0.21 CCC(CC)N(C)CCCO 269982a_100000213112_100000210505 [0,1,0,0,0,0|3,0,0]=4 508 B10R0.21 CCC(CC)N(C)CCCO 269982a_100000737045_100011215043 [0,1,0,0,0,0|3,0,0]=4 509 B10R0.21 CCC(CC)N(C)CCCO 270004a_100000213112_100000210860 [0,1,0,0,0,0|3,0,0]=4 510 B10R0.21 CCC(CC)N(C)CCOC 2230a_100000737045_100011201679 [0,1,0,0,0,0|3,0,0]=4 511 B10R0.21 CCC(CC)N(C)CCOC 2230a_100000739274_200000210301 [0,1,0,0,0,0|3,0,0]=4 512 B10R0.21 CCC(CC)N(C)CCOC 269982a_100000737045_100000233755 [0,1,0,0,0,0|3,0,0]=4 513 B10R0.21 CCC(CC)N(C)CCOC 269982a_100000739274_200000210301 [0,1,0,0,0,0|3,0,0]=4 514 B10R0.21 CCC(CC)N(C)CCOC 269982a_100000743101_100000210505 [0,1,0,0,0,0|3,0,0]=4 515 B10R0.21 CCC(CC)N(C)CCOC 270004a_100000743101_100000210860 [0,1,0,0,0,0|3,0,0]=4 516 B10R0.21 CCC(CC)N(C)CCSC 2230a_100000737045_100000751147 [0,1,0,0,0,0|3,0,0]=4 517 B10R0.21 CCC(CC)N(C)CCSC 269982a_100000686725_100000210505 [0,1,0,0,0,0|3,0,0]=4 518 B10R0.21 CCC(CC)N(C)CCSC 269982a_100000737045_100000212216 [0,1,0,0,0,0|3,0,0]=4 519 B10R0.21 CCC(CC)N(C)CCSC 270004a_100000686725_100000210860 [0,1,0,0,0,0|3,0,0]=4 520 B10R0.21 CCC(CC)N([13CH3])CCOC 2230a_100000739274_200025704644 [0,1,0,0,0,0|3,0,0]=4 521 B10R0.21 CCC(CC)N([13CH3])CCOC 269982a_100000739274_200025704644 [0,1,0,0,0,0|3,0,0]=4 522 B10R0.21 CCC(OC)C(=O)CCC#N 1458a_100000747056_100011215226 [0,1,0,0,0,0|2,0,1]=4 523 B10R0.21 CCC(OC)C(=O)CCCF 1458a_100000747056_100011934791 [0,1,0,0,0,0|2,0,0]=3 524 B10R0.21 CCC(OC)C(=O)CCCO 1458a_100000747056_100011215043 [0,1,0,0,0,0|2,0,0]=3 525 B10R0.21 CCC(OC)C(=O)CCOC 1458a_100000747056_100000233755 [0,1,0,0,0,0|2,0,0]=3 526 B10R0.21 CCC(OC)C(=O)CCSC 1458a_100000747056_100000751147 [0,1,0,0,0,0|2,0,0]=3 527 B10R0.21 CCC(OC)C(=O)NCC#N 1626a_100000734998_100000747056 [0,1,0,0,0,0|2,0,1]=4 528 B10R0.21 CCC(OC)C(=O)NCC#N 527a_100000734998_100000747056 [0,1,0,0,0,0|2,0,1]=4 529 B10R0.21 CCC(OC)C(=O)NCCF 11a_100000724931_100000747056 [0,1,0,0,0,0|2,0,0]=3 530 B10R0.21 CCC(OC)C(=O)NCCF 1626a_100000724931_100000747056 [0,1,0,0,0,0|2,0,0]=3 531 B10R0.21 CCC(OC)C(=O)NCCF 240690a_100000724931_100000747056 [0,1,0,0,0,0|2,0,0]=3 532 B10R0.21 CCC(OC)C(=O)NCCF 527a_100000724931_100000747056 [0,1,0,0,0,0|2,0,0]=3 533 B10R0.21 CCC(OC)C(=O)NCCO 240690a_100000210304_100000747056 [0,1,0,0,0,0|2,0,0]=3 534 B10R0.21 CCC(OC)C(=O)NCCO 527a_100000210304_100000747056 [0,1,0,0,0,0|2,0,0]=3 535 B10R0.21 CCC=CC(=O)C(CC)CC 1458a_100000212282_100000210505 [0,1,0,0,0,0|1,0,0]=2 536 B10R0.21 CCC=CC(=O)N(CC)CC 11a_100000724800_100000212282 [0,1,0,0,0,0|2,0,0]=3 537 B10R0.21 CCC=CC(=O)N(CC)CC 1626a_100000724800_100000212282 [0,1,0,0,0,0|2,0,0]=3 538 B10R0.21 CCC=CC(=O)N(CC)CC 240690a_100000724800_100000212282 [0,1,0,0,0,0|2,0,0]=3 539 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000210183_100000210505 [0,1,0,0,0,0|1,0,0]=2 540 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000211163_100000210211 [0,1,0,0,0,0|1,0,0]=2 541 B10R0.21 CCCCC(=O)C(CC)OC 1458a_100000747056_100000210211 [0,1,0,0,0,0|2,0,0]=3 542 B10R0.21 CCCCC(=O)C(OC)OC 1458a_100000046285_100000210211 [0,1,0,0,0,0|3,0,0]=4 543 B10R0.21 CCCCC(=O)N(CC)CC 11a_100000724800_100000210183 [0,1,0,0,0,0|2,0,0]=3 544 B10R0.21 CCCCC(=O)N(CC)CC 1626a_100000724800_100000210183 [0,1,0,0,0,0|2,0,0]=3 545 B10R0.21 CCCCC(=O)N(CC)CC 240690a_100000724800_100000210183 [0,1,0,0,0,0|2,0,0]=3 546 B10R0.21 CCCCC(=O)N(CC)CC 527a_100000724800_100000210183 [0,1,0,0,0,0|2,0,0]=3 547 B10R0.21 CCCCN(C)C(CC)CC 2230a_100000737045_100000210211 [0,1,0,0,0,0|3,0,0]=4 548 B10R0.21 CCCCN(C)C(CC)CC 269982a_100000207549_100000210505 [0,1,0,0,0,0|3,0,0]=4 549 B10R0.21 CCCCN(C)C(CC)CC 269982a_100000737045_100000210211 [0,1,0,0,0,0|3,0,0]=4 550 B10R0.21 CCCCN(C)C(CC)CC 270004a_100000207549_100000210860 [0,1,0,0,0,0|3,0,0]=4 551 B10R0.21 CCCNC(=O)C(CC)CC 11a_100020643023_100000211163 [0,1,0,0,0,0|1,0,0]=2 552 B10R0.21 CCCNC(=O)C(CC)CC 1626a_100020643023_100000211163 [0,1,0,0,0,0|1,0,0]=2 553 B10R0.21 CCCNC(=O)C(CC)CC 240690a_100020643023_100000211163 [0,1,0,0,0,0|1,0,0]=2 554 B10R0.21 CCCNC(=O)C(CC)CC 527a_100020643023_100000211163 [0,1,0,0,0,0|1,0,0]=2 555 B10R0.21 CCCNC(=O)C(CC)NC 2230a_106832991635_200011763335 [0,1,0,0,0,0|2,0,0]=3 556 B10R0.21 CCCNC(=O)C(CC)NC 7a_106832991635_200011763335 [0,1,0,0,0,0|2,0,0]=3 557 B10R0.21 CCCNC(=O)C(CC)OC 11a_100020643023_100000747056 [0,1,0,0,0,0|2,0,0]=3 558 B10R0.21 CCCNC(=O)C(CC)OC 1626a_100020643023_100000747056 [0,1,0,0,0,0|2,0,0]=3 559 B10R0.21 CCCNC(=O)C(CC)OC 240690a_100020643023_100000747056 [0,1,0,0,0,0|2,0,0]=3 560 B10R0.21 CCCNC(=O)C(CC)OC 527a_100020643023_100000747056 [0,1,0,0,0,0|2,0,0]=3 561 B10R0.21 CCCNC(=O)C(CC)SC 62a_200000210301_200011763335 [0,1,0,0,0,0|2,0,0]=3 562 B10R0.21 CCCNC(=O)C(CC)SC 62a_200011763335_200000210301 [0,1,0,0,0,0|2,0,0]=3 563 B10R0.21 CCCNC(=O)C(CC)S[13CH3] 62a_200011763335_200025704644 [0,1,0,0,0,0|2,0,0]=3 564 B10R0.21 CCCNC(=O)C(CC)S[13CH3] 62a_200025704644_200011763335 [0,1,0,0,0,0|2,0,0]=3 565 B10R0.21 CCCNC(=O)C(OC)OC 11a_100020643023_100000046285 [0,1,0,0,0,0|3,0,0]=4 566 B10R0.21 CCCNC(=O)C(OC)OC 240690a_100020643023_100000046285 [0,1,0,0,0,0|3,0,0]=4 567 B10R0.21 CCCNC(=O)C(OC)OC 527a_100020643023_100000046285 [0,1,0,0,0,0|3,0,0]=4 568 B10R0.21 CCCNC(=O)N(CC)CC 2708a_100020643023_100000724800 [0,1,0,0,0,0|2,0,0]=3 569 B10R0.21 CCCNC(=O)N(CC)CC 273464a_100020643023_100000724800 [0,1,0,0,0,0|2,0,0]=3 570 B10R0.21 CCCNC(C)C(CC)CC 269862a_100020643023_100011393642 [0,1,0,0,0,0|2,0,1]=4 571 B10R0.21 CCCNC(C)C(CC)CC 270004a_100020643023_100011393642 [0,1,0,0,0,0|2,0,1]=4 572 B10R0.21 CCN(CC)C(=O)C=COC 1626a_100000724800_100016268678 [0,1,0,0,0,0|2,0,1]=4 573 B10R0.21 CCN(CC)C(=O)C=COC 240690a_100000724800_100016268678 [0,1,0,0,0,0|2,0,1]=4 574 B10R0.21 CCN(CC)C(=O)CCC#N 11a_100000724800_100011934036 [0,1,0,0,0,0|2,0,1]=4 575 B10R0.21 CCN(CC)C(=O)CCC#N 1626a_100000724800_100011934036 [0,1,0,0,0,0|2,0,1]=4 576 B10R0.21 CCN(CC)C(=O)CCC#N 240690a_100000724800_100011934036 [0,1,0,0,0,0|2,0,1]=4 577 B10R0.21 CCN(CC)C(=O)CCC#N 527a_100000724800_100011934036 [0,1,0,0,0,0|2,0,1]=4 578 B10R0.21 CCN(CC)C(=O)CCNC 2230a_106832991635_100011194432 [0,1,0,0,0,0|2,0,0]=3 579 B10R0.21 CCN(CC)C(=O)CCNC 7a_106832991635_100011194432 [0,1,0,0,0,0|2,0,0]=3 580 B10R0.21 CCN(CC)C(=O)CCOC 11a_100000724800_100000749529 [0,1,0,0,0,0|2,0,0]=3 581 B10R0.21 CCN(CC)C(=O)CCOC 1626a_100000724800_100000749529 [0,1,0,0,0,0|2,0,0]=3 582 B10R0.21 CCN(CC)C(=O)CCOC 240690a_100000724800_100000749529 [0,1,0,0,0,0|2,0,0]=3 583 B10R0.21 CCN(CC)C(=O)CCOC 527a_100000724800_100000749529 [0,1,0,0,0,0|2,0,0]=3 584 B10R0.21 CCN(CC)C(=O)CCSC 11a_100000724800_100000174002 [0,1,0,0,0,0|2,0,0]=3 585 B10R0.21 CCN(CC)C(=O)CCSC 1626a_100000724800_100000174002 [0,1,0,0,0,0|2,0,0]=3 586 B10R0.21 CCN(CC)C(=O)CCSC 240690a_100000724800_100000174002 [0,1,0,0,0,0|2,0,0]=3 587 B10R0.21 CCN(CC)C(=O)CCSC 527a_100000724800_100000174002 [0,1,0,0,0,0|2,0,0]=3 588 B10R0.21 CCN(CC)C(=O)CCSC 62a_200000210301_100011194432 [0,1,0,0,0,0|2,0,0]=3 589 B10R0.21 CCN(CC)C(=O)CCS[13CH3] 62a_200025704644_100011194432 [0,1,0,0,0,0|2,0,0]=3 590 B10R0.21 CCN(CC)C(=O)COCF 7a_200000238847_100015361967 [0,1,0,0,0,0|2,0,0]=3 591 B10R0.21 CCN(CC)C(=O)CSCF 62a_100000211521_100015361967 [0,1,0,0,0,0|2,1,0]=4 592 B10R0.21 CCN(CC)C(=O)CSCF 62a_100015361967_100000211521 [0,1,0,0,0,0|2,1,0]=4 593 B10R0.21 CCN(CC)C(=O)NCC#N 2708a_100000734998_100000724800 [0,1,0,0,0,0|2,0,1]=4 594 B10R0.21 CCN(CC)C(=O)NCC#N 273464a_100000734998_100000724800 [0,1,0,0,0,0|2,0,1]=4 595 B10R0.21 CCN(CC)C(=O)NCCF 273464a_100000724931_100000724800 [0,1,0,0,0,0|2,0,0]=3 596 B10R0.21 CCN(CC)C(=O)NCCO 273464a_100000210304_100000724800 [0,1,0,0,0,0|2,0,0]=3 597 B10R0.21 CCN(CC)C(=O)OCNC 2230a_106832991635_100000140013 [0,1,0,0,0,0|1,0,0]=2 598 B10R0.21 CCN(CC)C(=O)OCNC 7a_106832991635_100000140013 [0,1,0,0,0,0|1,0,0]=2 599 B10R0.21 CCN(CC)C(=O)OCSC 62a_200000210301_100000140013 [0,1,0,0,0,0|1,0,0]=2 600 B10R0.21 CCN(CC)C(=O)OCS[13CH3] 62a_200025704644_100000140013 [0,1,0,0,0,0|1,0,0]=2 601 B10R0.21 CCNCC(=O)N(CC)CC 2230a_100000174916_100000210202 [0,1,0,0,0,0|2,0,0]=3 602 B10R0.21 CCNCC(=O)N(CC)CC 2230a_100015525214_100000211521 [0,1,0,0,0,0|2,0,0]=3 603 B10R0.21 CCNN=C(C)C(CC)CC 4a_100000756455_100011393642 [0,1,0,0,0,0|2,0,0]=3 604 B10R0.21 CCNNC(=O)C(CC)CC 22a_100000756455_100000211163 [0,1,0,0,0,0|1,0,0]=2 605 B10R0.21 CCNNC(=O)C(CC)OC 22a_100000756455_100000747056 [0,1,0,0,0,0|2,0,0]=3 606 B10R0.21 CCNNC(=O)C(OC)OC 22a_100000756455_100000046285 [0,1,0,0,0,0|3,0,0]=4 607 B10R0.21 CCOCC(=O)C(CC)CC 1458a_100000211967_100000210505 [0,1,0,0,0,0|0,0,0]=1 608 B10R0.21 CCOCC(=O)N(CC)CC 11a_100000724800_100000211967 [0,1,0,0,0,0|1,0,0]=2 609 B10R0.21 CCOCC(=O)N(CC)CC 1626a_100000724800_100000211967 [0,1,0,0,0,0|1,0,0]=2 610 B10R0.21 CCOCC(=O)N(CC)CC 240690a_100000724800_100000211967 [0,1,0,0,0,0|1,0,0]=2 611 B10R0.21 CCOCC(=O)N(CC)CC 34a_100121572206_100000211521 [0,1,0,0,0,0|1,0,0]=2 612 B10R0.21 CCOCC(=O)N(CC)CC 527a_100000724800_100000211967 [0,1,0,0,0,0|1,0,0]=2 613 B10R0.21 CCOCC(=O)N(CC)CC 7a_200000238847_100000210202 [0,1,0,0,0,0|1,0,0]=2 614 B10R0.21 CCOCN(C)C(CC)CC 269982a_100000737045_100000739092 [0,1,0,0,0,0|2,0,0]=3 615 B10R0.21 CCSCC(=O)C(CC)CC 1458a_100000230394_100000210505 [0,1,0,0,0,0|0,1,0]=2 616 B10R0.21 CCSCC(=O)N(CC)CC 11a_100000724800_100000230394 [0,1,0,0,0,0|1,1,0]=3 617 B10R0.21 CCSCC(=O)N(CC)CC 1626a_100000724800_100000230394 [0,1,0,0,0,0|1,1,0]=3 618 B10R0.21 CCSCC(=O)N(CC)CC 240690a_100000724800_100000230394 [0,1,0,0,0,0|1,1,0]=3 619 B10R0.21 CCSCC(=O)N(CC)CC 527a_100000724800_100000230394 [0,1,0,0,0,0|1,1,0]=3 620 B10R0.21 CCSCC(=O)N(CC)CC 62a_100000210202_100000211521 [0,1,0,0,0,0|1,1,0]=3 621 B10R0.21 CCSCC(=O)N(CC)CC 62a_100000211521_100000210202 [0,1,0,0,0,0|1,1,0]=3 622 B10R0.21 COC(OC)C(=O)CCCF 1458a_100000046285_100011934791 [0,1,0,0,0,0|3,0,0]=4 623 B10R0.21 COC(OC)C(=O)CCCO 1458a_100000046285_100011215043 [0,1,0,0,0,0|3,0,0]=4 624 B10R0.21 COC(OC)C(=O)CCSC 1458a_100000046285_100000751147 [0,1,0,0,0,0|3,0,0]=4 625 B10R0.21 COC(OC)C(=O)NCCF 11a_100000724931_100000046285 [0,1,0,0,0,0|3,0,0]=4 626 B10R0.21 COC(OC)C(=O)NCCF 240690a_100000724931_100000046285 [0,1,0,0,0,0|3,0,0]=4 627 B10R0.21 COC(OC)C(=O)NCCF 527a_100000724931_100000046285 [0,1,0,0,0,0|3,0,0]=4 628 B10R0.21 COC(OC)C(=O)NCCO 240690a_100000210304_100000046285 [0,1,0,0,0,0|3,0,0]=4 629 B10R0.21 COC(OC)C(=O)NCCO 527a_100000210304_100000046285 [0,1,0,0,0,0|3,0,0]=4 630 B10R0.21 COCCC(=O)C(OC)OC 1458a_100000046285_100000233755 [0,1,0,0,0,0|3,0,0]=4 631 B10R0.33 C#CCC(=O)C(CC)CCC 1458a_100011220946_100011219200 [0,1,0,0,0,0|1,0,2]=4 632 B10R0.33 C#CCC(=O)C(CC)CCC 1458a_100011416436_100000184674 [0,1,0,0,0,0|1,0,2]=4 633 B10R0.33 C#CCN(CC)C(=O)CCC 11a_100000744766_100000211992 [0,1,0,0,0,0|2,0,1]=4 634 B10R0.33 C#CCN(CC)C(=O)CCC 1626a_100000744766_100000211992 [0,1,0,0,0,0|2,0,1]=4 635 B10R0.33 C#CCN(CC)C(=O)CCC 240690a_100000744766_100000211992 [0,1,0,0,0,0|2,0,1]=4 636 B10R0.33 C#CCN(CC)C(=O)CCC 527a_100000744766_100000211992 [0,1,0,0,0,0|2,0,1]=4 637 B10R0.33 C#CCN(CC)C(=O)NCC 2708a_100015525214_100000744766 [0,1,0,0,0,0|2,0,1]=4 638 B10R0.33 C#CCN(CC)C(=O)NCC 273464a_100015525214_100000744766 [0,1,0,0,0,0|2,0,1]=4 639 B10R0.33 C=CCC(=O)C(CC)CCC 1458a_100000210193_100011219200 [0,1,0,0,0,0|1,0,2]=4 640 B10R0.33 C=CCC(=O)C(CC)CCC 1458a_100011416436_100000210623 [0,1,0,0,0,0|1,0,2]=4 641 B10R0.33 CC#CC(=O)C(CC)CCC 1458a_100000763181_100011219200 [0,1,0,0,0,0|1,0,1]=3 642 B10R0.33 CC=CC(=O)C(CC)CCC 1458a_100000210699_100011219200 [0,1,0,0,0,0|1,0,1]=3 643 B10R0.33 CC=CC(=O)N(CC)CCC 11a_100000226822_100000210699 [0,1,0,0,0,0|2,0,1]=4 644 B10R0.33 CC=CC(=O)N(CC)CCC 1626a_100000226822_100000210699 [0,1,0,0,0,0|2,0,1]=4 645 B10R0.33 CC=CC(=O)N(CC)CCC 240690a_100000226822_100000210699 [0,1,0,0,0,0|2,0,1]=4 646 B10R0.33 CC=CC(=O)N(CC)CCO 240690a_100000210973_100000210699 [0,1,0,0,0,0|2,0,1]=4 647 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100000211992_100011219200 [0,1,0,0,0,0|1,0,0]=2 648 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100011416436_100000210303 [0,1,0,0,0,0|1,0,0]=2 649 B10R0.33 CCCC(=O)C(CCC)OC 34a_200011216804_200000210301 [0,1,0,0,0,0|2,0,0]=3 650 B10R0.33 CCCC(=O)C(CCC)OC 7a_200011216804_200000210301 [0,1,0,0,0,0|2,0,0]=3 651 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 34a_200011216804_200025704644 [0,1,0,0,0,0|2,0,0]=3 652 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 7a_200011216804_200025704644 [0,1,0,0,0,0|2,0,0]=3 653 B10R0.33 CCCC(=O)N(CC)CCC 11a_100000226822_100000211992 [0,1,0,0,0,0|2,0,0]=3 654 B10R0.33 CCCC(=O)N(CC)CCC 1626a_100000226822_100000211992 [0,1,0,0,0,0|2,0,0]=3 655 B10R0.33 CCCC(=O)N(CC)CCC 240690a_100000226822_100000211992 [0,1,0,0,0,0|2,0,0]=3 656 B10R0.33 CCCC(=O)N(CC)CCC 527a_100000226822_100000211992 [0,1,0,0,0,0|2,0,0]=3 657 B10R0.33 CCCC(=O)N(CC)CCO 240690a_100000210973_100000211992 [0,1,0,0,0,0|2,0,0]=3 658 B10R0.33 CCCC(=O)N(CC)CCO 527a_100000210973_100000211992 [0,1,0,0,0,0|2,0,0]=3 659 B10R0.33 CCCC(C)C(CC)OCC 34a_200011218412_100000210202 [0,1,0,0,0,0|2,0,1]=4 660 B10R0.33 CCCC(C)C(CC)OCC 7a_200011218412_100000210202 [0,1,0,0,0,0|2,0,1]=4 661 B10R0.33 CCCC(CC)C(=O)C=CBr 1458a_100016273825_100011219200 [0,1,0,0,0,0|2,0,1]=4 662 B10R0.33 CCCC(CC)C(=O)C=CCl 1458a_200016279998_100011219200 [0,1,0,0,0,0|2,0,1]=4 663 B10R0.33 CCCC(CC)C(=O)C=CI 1458a_100016256311_100011219200 [0,1,0,0,0,0|2,0,1]=4 664 B10R0.33 CCCC(CC)C(=O)CC#N 1458a_100011416436_100011214920 [0,1,0,0,0,0|2,0,1]=4 665 B10R0.33 CCCC(CC)C(=O)CC#N 1458a_100051588842_100011219200 [0,1,0,0,0,0|2,0,1]=4 666 B10R0.33 CCCC(CC)C(=O)CCF 1458a_100011416436_100011217306 [0,1,0,0,0,0|2,0,0]=3 667 B10R0.33 CCCC(CC)C(=O)CCO 1458a_100011216618_100011219200 [0,1,0,0,0,0|2,0,0]=3 668 B10R0.33 CCCC(CC)C(=O)CCO 1458a_100011416436_100000211926 [0,1,0,0,0,0|2,0,0]=3 669 B10R0.33 CCCC(CC)C(=O)COC 1458a_100000210968_100011219200 [0,1,0,0,0,0|2,0,0]=3 670 B10R0.33 CCCC(CC)C(=O)CSC 1458a_100000184570_100011219200 [0,1,0,0,0,0|2,0,0]=3 671 B10R0.33 CCCC(CC)C(=O)NCC 11a_100015525214_100011416436 [0,1,0,0,0,0|1,0,0]=2 672 B10R0.33 CCCC(CC)C(=O)NCC 240690a_100015525214_100011416436 [0,1,0,0,0,0|1,0,0]=2 673 B10R0.33 CCCC(CC)C(=O)NCC 527a_100015525214_100011416436 [0,1,0,0,0,0|1,0,0]=2 674 B10R0.33 CCCC(CC)C(=O)NNC 22a_100016993582_100011416436 [0,1,0,0,0,0|2,0,0]=3 675 B10R0.33 CCCC(CC)N(C)CCC 269982a_100000747261_100011219200 [0,1,0,0,0,0|3,0,0]=4 676 B10R0.33 CCCC(CC)N(C)CCC 270004a_100000747261_100000687865 [0,1,0,0,0,0|3,0,0]=4 677 B10R0.33 CCCC(NC)C(=O)OCC 2230a_106832991635_100000695697 [0,1,0,0,0,0|1,0,0]=2 678 B10R0.33 CCCC(NC)C(=O)OCC 34a_100102657272_100000695697 [0,1,0,0,0,0|1,0,0]=2 679 B10R0.33 CCCC(NC)C(=O)OCC 7a_106832991635_100000695697 [0,1,0,0,0,0|1,0,0]=2 680 B10R0.33 CCCC(OC)C(=O)OCC 34a_100138415774_100000695697 [0,1,0,0,0,0|1,0,0]=2 681 B10R0.33 CCCC(OC)C(=O)OCC 34a_200011218214_200000210301 [0,1,0,0,0,0|1,0,0]=2 682 B10R0.33 CCCC(OC)C(=O)OCC 7a_200011218214_200000210301 [0,1,0,0,0,0|1,0,0]=2 683 B10R0.33 CCCC(O[13CH3])C(=O)OCC 34a_200011218214_200025704644 [0,1,0,0,0,0|1,0,0]=2 684 B10R0.33 CCCC(O[13CH3])C(=O)OCC 7a_200011218214_200025704644 [0,1,0,0,0,0|1,0,0]=2 685 B10R0.33 CCCC(SC)C(=O)OCC 62a_100000695697_200000210301 [0,1,0,0,0,0|1,0,0]=2 686 B10R0.33 CCCC(SC)C(=O)OCC 62a_200000210301_100000695697 [0,1,0,0,0,0|1,0,0]=2 687 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_100000695697_200025704644 [0,1,0,0,0,0|1,0,0]=2 688 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_200025704644_100000695697 [0,1,0,0,0,0|1,0,0]=2 689 B10R0.33 CCCN(C)C(CC)COC 270004a_100000747261_100000757811 [0,1,0,0,0,0|3,0,0]=4 690 B10R0.33 CCCN(CC)C(=O)CCO 240690a_100000226822_100011216618 [0,1,0,0,0,0|3,0,0]=4 691 B10R0.33 CCCN(CC)C(=O)COC 11a_100000226822_100000210968 [0,1,0,0,0,0|3,0,0]=4 692 B10R0.33 CCCN(CC)C(=O)COC 1626a_100000226822_100000210968 [0,1,0,0,0,0|3,0,0]=4 693 B10R0.33 CCCN(CC)C(=O)COC 240690a_100000226822_100000210968 [0,1,0,0,0,0|3,0,0]=4 694 B10R0.33 CCCN(CC)C(=O)COC 527a_100000226822_100000210968 [0,1,0,0,0,0|3,0,0]=4 695 B10R0.33 CCCN(CC)C(=O)CSC 11a_100000226822_100000184570 [0,1,0,0,0,0|3,0,0]=4 696 B10R0.33 CCCN(CC)C(=O)CSC 1626a_100000226822_100000184570 [0,1,0,0,0,0|3,0,0]=4 697 B10R0.33 CCCN(CC)C(=O)CSC 240690a_100000226822_100000184570 [0,1,0,0,0,0|3,0,0]=4 698 B10R0.33 CCCN(CC)C(=O)CSC 527a_100000226822_100000184570 [0,1,0,0,0,0|3,0,0]=4 699 B10R0.33 CCCN(CC)C(=O)NCC 2708a_100015525214_100000226822 [0,1,0,0,0,0|2,0,0]=3 700 B10R0.33 CCCN(CC)C(=O)NCC 273464a_100015525214_100000226822 [0,1,0,0,0,0|2,0,0]=3 701 B10R0.33 CCN(CCO)C(=O)CCO 240690a_100000210973_100011216618 [0,1,0,0,0,0|3,0,0]=4 702 B10R0.33 CCN(CCO)C(=O)COC 240690a_100000210973_100000210968 [0,1,0,0,0,0|3,0,0]=4 703 B10R0.33 CCN(CCO)C(=O)COC 527a_100000210973_100000210968 [0,1,0,0,0,0|3,0,0]=4 704 B10R0.33 CCN(CCO)C(=O)CSC 240690a_100000210973_100000184570 [0,1,0,0,0,0|3,0,0]=4 705 B10R0.33 CCN(CCO)C(=O)CSC 527a_100000210973_100000184570 [0,1,0,0,0,0|3,0,0]=4 706 B10R0.33 CCNC(=O)N(CC)CCO 2708a_100015525214_100000210973 [0,1,0,0,0,0|2,0,0]=3 707 B10R0.33 CCNC(=O)N(CC)CCO 273464a_100015525214_100000210973 [0,1,0,0,0,0|2,0,0]=3 708 B10R0.33 CCNC(CC)C(=O)OCC 2230a_100015525214_100000212269 [0,1,0,0,0,0|0,0,0]=1 709 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000053139_100000210202 [0,1,0,0,0,0|1,0,1]=3 710 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000210202_100000053139 [0,1,0,0,0,0|1,0,1]=3 711 B10R0.33 CCOC(=O)C(C=O)SCF 62a_100000053139_100015361967 [0,1,0,0,0,0|2,0,1]=4 712 B10R0.33 CCOC(=O)C(C=O)SCF 62a_100015361967_100000053139 [0,1,0,0,0,0|2,0,1]=4 713 B10R0.33 CCOC(=O)C(CC)OCC 34a_100011216719_100000210202 [0,1,0,0,0,0|0,0,0]=1 714 B10R0.33 CCOC(=O)C(CC)OCC 34a_100121572206_100000212269 [0,1,0,0,0,0|0,0,0]=1 715 B10R0.33 CCOC(=O)C(CC)OCC 7a_100011216719_100000210202 [0,1,0,0,0,0|0,0,0]=1 716 B10R0.33 CCOC(=O)C(CC)OCF 34a_100011216719_100015361967 [0,1,0,0,0,0|1,0,0]=2 717 B10R0.33 CCOC(=O)C(CC)OCF 7a_100011216719_100015361967 [0,1,0,0,0,0|1,0,0]=2 718 B10R0.33 CCOC(=O)C(CC)SCC 62a_100000210202_100000212269 [0,1,0,0,0,0|0,0,0]=1 719 B10R0.33 CCOC(=O)C(CC)SCC 62a_100000212269_100000210202 [0,1,0,0,0,0|0,0,0]=1 720 B10R0.33 CCOC(=O)C(CC)SCF 62a_100000212269_100015361967 [0,1,0,0,0,0|1,0,0]=2 721 B10R0.33 CCOC(=O)C(CC)SCF 62a_100015361967_100000212269 [0,1,0,0,0,0|1,0,0]=2 722 B10R0.33 CCOC(=O)C(NC)OCC 34a_100102657272_100000033883 [0,1,0,0,0,0|1,0,0]=2 723 B10R0.33 CCOC(=O)C(OC)OCC 34a_100138415774_100000033883 [0,1,0,0,0,0|1,0,0]=2 724 B10R0.33 CCOC(=O)C(OCC)SC 34a_100121572206_100009893047 [0,1,0,0,0,0|1,0,0]=2 725 B10R0.33 CCOC(=O)C(OCC)SC 62a_100000033883_200000210301 [0,1,0,0,0,0|1,0,0]=2 726 B10R0.33 CCOC(=O)C(OCC)SC 62a_200000210301_100000033883 [0,1,0,0,0,0|1,0,0]=2 727 B10R0.33 CCOC(=O)C(OCC)S[13CH3] 62a_100000033883_200025704644 [0,1,0,0,0,0|1,0,0]=2 728 B10R0.33 CCOC(=O)C(OCC)S[13CH3] 62a_200025704644_100000033883 [0,1,0,0,0,0|1,0,0]=2 729 B10R0.33 CCOC(=O)C(SC)SCC 62a_100000210202_100009893047 [0,1,0,0,0,0|1,0,0]=2 730 B10R0.33 CCOC(=O)C(SC)SCC 62a_100009893047_100000210202 [0,1,0,0,0,0|1,0,0]=2 731 B10R0.33 CCOC(=O)C(SC)SCF 62a_100009893047_100015361967 [0,1,0,0,0,0|2,0,0]=3 732 B10R0.33 CCOC(=O)C(SC)SCF 62a_100015361967_100009893047 [0,1,0,0,0,0|2,0,0]=3 733 B10R0.38 C#CC(C)C(=O)C(CC)CC 1458a_100000211163_200000035995 [0,1,0,0,0,0|1,0,2]=4 734 B10R0.38 C/C=C(\C)/C(=O)C(CC)CC 1458a_100020587367_100000210505 [0,1,0,0,0,0|1,0,1]=3 735 B10R0.38 C/C=C(\C)/C(=O)N(CC)CC 11a_100000724800_100020587367 [0,1,0,0,0,0|2,0,1]=4 736 B10R0.38 C/C=C(\C)/C(=O)N(CC)CC 1626a_100000724800_100020587367 [0,1,0,0,0,0|2,0,1]=4 737 B10R0.38 C=CC(C)C(=O)C(CC)CC 1458a_100011216780_100000210505 [0,1,0,0,0,0|1,0,2]=4 738 B10R0.38 CCC(=O)C(=O)N(CC)CC 1458a_200000187824_100000210202 [0,1,0,0,0,0|2,0,0]=3 739 B10R0.38 CCC(=O)N(C)C(CC)CC 11a_100000737045_100000210414 [0,1,0,0,0,0|3,0,0]=4 740 B10R0.38 CCC(=O)N(C)C(CC)CC 1626a_100000737045_100000210414 [0,1,0,0,0,0|3,0,0]=4 741 B10R0.38 CCC(=O)N(C)C(CC)CC 240690a_100000737045_100000210414 [0,1,0,0,0,0|3,0,0]=4 742 B10R0.38 CCC(=O)N(C)C(CC)CC 527a_100000737045_100000210414 [0,1,0,0,0,0|3,0,0]=4 743 B10R0.38 CCC(C)C(=O)C(CC)CC 1458a_100000211163_100000758301 [0,1,0,0,0,0|1,0,0]=2 744 B10R0.38 CCC(C)C(=O)C(CC)CC 1458a_100011192722_100000210505 [0,1,0,0,0,0|1,0,0]=2 745 B10R0.38 CCC(C)C(=O)C(CC)OC 1458a_100000747056_100000758301 [0,1,0,0,0,0|2,0,0]=3 746 B10R0.38 CCC(C)C(=O)C(OC)OC 1458a_100000046285_100000758301 [0,1,0,0,0,0|3,0,0]=4 747 B10R0.38 CCC(C)C(=O)N(CC)CC 11a_100000724800_100011192722 [0,1,0,0,0,0|2,0,0]=3 748 B10R0.38 CCC(C)C(=O)N(CC)CC 1626a_100000724800_100011192722 [0,1,0,0,0,0|2,0,0]=3 749 B10R0.38 CCC(C)C(=O)N(CC)CC 240690a_100000724800_100011192722 [0,1,0,0,0,0|2,0,0]=3 750 B10R0.38 CCC(C)C(=O)N(CC)CC 527a_100000724800_100011192722 [0,1,0,0,0,0|2,0,0]=3 751 B10R0.38 CCC(C)N(C)C(CC)CC 2230a_100000737045_100000758301 [0,1,0,0,0,0|3,0,0]=4 752 B10R0.38 CCC(C)N(C)C(CC)CC 269982a_100000737045_100000758301 [0,1,0,0,0,0|3,0,0]=4 753 B10R0.38 CCC(C)N(C)C(CC)CC 269982a_100000741768_100000210505 [0,1,0,0,0,0|3,0,0]=4 754 B10R0.38 CCC(C)N(C)C(CC)CC 270004a_100000741768_100000210860 [0,1,0,0,0,0|3,0,0]=4 755 B10R0.38 CCC(CC)C(=O)C(=O)NC 1458a_100011218921_100000210505 [0,1,0,0,0,0|2,0,0]=3 756 B10R0.38 CCC(CC)C(=O)C(C)C#N 1458a_100000211163_100000703298 [0,1,0,0,0,0|2,0,1]=4 757 B10R0.38 CCC(CC)C(=O)C(C)C#N 1458a_100000753662_100000210505 [0,1,0,0,0,0|2,0,1]=4 758 B10R0.38 CCC(CC)C(=O)C(C)OC 1458a_100000743197_100000210505 [0,1,0,0,0,0|2,0,0]=3 759 B10R0.38 CCC(CC)C(=O)C(C)SC 1458a_100000149566_100000210505 [0,1,0,0,0,0|2,0,0]=3 760 B10R0.38 CCC(CC)C(=O)C(O)CO 1458a_100011215603_100000210505 [0,1,0,0,0,0|2,0,0]=3 761 B10R0.38 CCC(CC)C(=O)N(C)CC 11a_100000225621_100000211163 [0,1,0,0,0,0|1,0,0]=2 762 B10R0.38 CCC(CC)C(=O)N(C)CC 1626a_100000225621_100000211163 [0,1,0,0,0,0|1,0,0]=2 763 B10R0.38 CCC(CC)C(=O)N(C)CC 240690a_100000225621_100000211163 [0,1,0,0,0,0|1,0,0]=2 764 B10R0.38 CCC(CC)C(=O)N(C)CC 527a_100000225621_100000211163 [0,1,0,0,0,0|1,0,0]=2 765 B10R0.38 CCC(O)C(=O)C(CC)CC 1458a_100011196387_100000210505 [0,1,0,0,0,0|1,0,0]=2 766 B10R0.38 CCC(O)C(=O)N(CC)CC 240690a_100000724800_100011196387 [0,1,0,0,0,0|2,0,0]=3 767 B10R0.38 CCC(OC)C(=O)N(C)CC 11a_100000225621_100000747056 [0,1,0,0,0,0|2,0,0]=3 768 B10R0.38 CCC(OC)C(=O)N(C)CC 1626a_100000225621_100000747056 [0,1,0,0,0,0|2,0,0]=3 769 B10R0.38 CCC(OC)C(=O)N(C)CC 240690a_100000225621_100000747056 [0,1,0,0,0,0|2,0,0]=3 770 B10R0.38 CCC(OC)C(=O)N(C)CC 527a_100000225621_100000747056 [0,1,0,0,0,0|2,0,0]=3 771 B10R0.38 CCN(C)C(=O)C(OC)OC 11a_100000225621_100000046285 [0,1,0,0,0,0|3,0,0]=4 772 B10R0.38 CCN(C)C(=O)C(OC)OC 240690a_100000225621_100000046285 [0,1,0,0,0,0|3,0,0]=4 773 B10R0.38 CCN(C)C(=O)C(OC)OC 527a_100000225621_100000046285 [0,1,0,0,0,0|3,0,0]=4 774 B10R0.38 CCN(CC)C(=O)C(=O)CF 1458a_200000187824_100015361967 [0,1,0,0,0,0|3,0,0]=4 775 B10R0.38 CCN(CC)C(=O)C(=O)NC 1626a_100000724800_100011218921 [0,1,0,0,0,0|3,0,0]=4 776 B10R0.38 CCN(CC)C(=O)C(=O)NC 1626a_100102657272_200000187824 [0,1,0,0,0,0|3,0,0]=4 777 B10R0.38 CCN(CC)C(=O)C(=O)NC 240690a_100000724800_100011218921 [0,1,0,0,0,0|3,0,0]=4 778 B10R0.38 CCN(CC)C(=O)C(=O)NC 240690a_100102657272_200000187824 [0,1,0,0,0,0|3,0,0]=4 779 B10R0.38 CCN(CC)C(=O)C(=O)NC 527a_100000724800_100011218921 [0,1,0,0,0,0|3,0,0]=4 780 B10R0.38 CCN(CC)C(=O)C(=O)NC 527a_100102657272_200000187824 [0,1,0,0,0,0|3,0,0]=4 781 B10R0.38 CCN(CC)C(=O)C(=O)OC 11a_100000724800_100000024059 [0,1,0,0,0,0|3,0,0]=4 782 B10R0.38 CCN(CC)C(=O)C(=O)OC 1626a_100000724800_100000024059 [0,1,0,0,0,0|3,0,0]=4 783 B10R0.38 CCN(CC)C(=O)C(=O)OC 240690a_100000724800_100000024059 [0,1,0,0,0,0|3,0,0]=4 784 B10R0.38 CCN(CC)C(=O)C(=O)OC 527a_100000724800_100000024059 [0,1,0,0,0,0|3,0,0]=4 785 B10R0.38 CCN(CC)C(=O)C(C)NC 2230a_106832991635_100000735968 [0,1,0,0,0,0|3,0,0]=4 786 B10R0.38 CCN(CC)C(=O)C(C)NC 7a_106832991635_100000735968 [0,1,0,0,0,0|3,0,0]=4 787 B10R0.38 CCN(CC)C(=O)C(C)OC 11a_100000724800_100000743197 [0,1,0,0,0,0|3,0,0]=4 788 B10R0.38 CCN(CC)C(=O)C(C)OC 1626a_100000724800_100000743197 [0,1,0,0,0,0|3,0,0]=4 789 B10R0.38 CCN(CC)C(=O)C(C)OC 240690a_100000724800_100000743197 [0,1,0,0,0,0|3,0,0]=4 790 B10R0.38 CCN(CC)C(=O)C(C)OC 527a_100000724800_100000743197 [0,1,0,0,0,0|3,0,0]=4 791 B10R0.38 CCN(CC)C(=O)C(C)SC 11a_100000724800_100000149566 [0,1,0,0,0,0|3,0,0]=4 792 B10R0.38 CCN(CC)C(=O)C(C)SC 1626a_100000724800_100000149566 [0,1,0,0,0,0|3,0,0]=4 793 B10R0.38 CCN(CC)C(=O)C(C)SC 240690a_100000724800_100000149566 [0,1,0,0,0,0|3,0,0]=4 794 B10R0.38 CCN(CC)C(=O)C(C)SC 527a_100000724800_100000149566 [0,1,0,0,0,0|3,0,0]=4 795 B10R0.38 CCN(CC)C(=O)C(C)SC 62a_100000735968_200000210301 [0,1,0,0,0,0|3,0,0]=4 796 B10R0.38 CCN(CC)C(=O)C(C)SC 62a_200000210301_100000735968 [0,1,0,0,0,0|3,0,0]=4 797 B10R0.38 CCN(CC)C(=O)C(C)S[13CH3] 62a_100000735968_200025704644 [0,1,0,0,0,0|3,0,0]=4 798 B10R0.38 CCN(CC)C(=O)C(C)S[13CH3] 62a_200025704644_100000735968 [0,1,0,0,0,0|3,0,0]=4 799 B10R0.38 CCN(CC)C(=O)C(F)NC 2230a_106832991635_200000034631 [0,1,0,0,0,0|3,0,0]=4 800 B10R0.38 CCN(CC)C(=O)C(F)NC 7a_106832991635_200000034631 [0,1,0,0,0,0|3,0,0]=4 801 B10R0.38 CCN(CC)C(=O)C(F)SC 62a_200000034631_200000210301 [0,1,0,0,0,0|3,0,0]=4 802 B10R0.38 CCN(CC)C(=O)C(F)SC 62a_200000210301_200000034631 [0,1,0,0,0,0|3,0,0]=4 803 B10R0.38 CCN(CC)C(=O)C(F)S[13CH3] 62a_200000034631_200025704644 [0,1,0,0,0,0|3,0,0]=4 804 B10R0.38 CCN(CC)C(=O)C(F)S[13CH3] 62a_200025704644_200000034631 [0,1,0,0,0,0|3,0,0]=4 805 B10R0.38 CCN(CC)C(=O)C(O)CO 240690a_100000724800_100011215603 [0,1,0,0,0,0|3,0,0]=4 806 B10R0.49 CCCS(=O)(=O)N(CC)CC 270084a_100000724800_100000211391 [0,1,0,0,0,0|3,0,0]=4 807 B10R0.49 CCCS(=O)(=O)N(CC)CC 274078a_100000724800_100000211391 [0,1,0,0,0,0|3,0,0]=4 808 B10R0.49 CCCS(=O)(=O)N(CC)CC 40a_100000724800_100000054278 [0,1,0,0,0,0|3,0,0]=4 809 B10R0.101 CC=CC(=O)N(CC)C(C)C 11a_100000223864_100000210699 [0,1,0,0,0,0|2,0,1]=4 810 B10R0.101 CC=CC(=O)N(CC)C(C)C 1626a_100000223864_100000210699 [0,1,0,0,0,0|2,0,1]=4 811 B10R0.101 CC=CC(=O)N(CC)C(C)C 240690a_100000223864_100000210699 [0,1,0,0,0,0|2,0,1]=4 812 B10R0.101 CCC(C(=O)CCF)N(C)C 1458a_100000689100_100011217306 [0,1,0,0,0,0|3,0,0]=4 813 B10R0.101 CCC(C(=O)CCO)N(C)C 1458a_100000689100_100000211926 [0,1,0,0,0,0|3,0,0]=4 814 B10R0.101 CCC(C(=O)NNC)N(C)C 22a_100016993582_100000689100 [0,1,0,0,0,0|3,0,0]=4 815 B10R0.101 CCCC(=O)C(CC)C(=O)N 1458a_100000211992_100000750255 [0,1,0,0,0,0|2,0,1]=4 816 B10R0.101 CCCC(=O)C(CC)N(C)C 1458a_100000689100_100000210303 [0,1,0,0,0,0|2,0,0]=3 817 B10R0.101 CCCC(=O)N(CC)C(C)C 11a_100000223864_100000211992 [0,1,0,0,0,0|2,0,0]=3 818 B10R0.101 CCCC(=O)N(CC)C(C)C 1626a_100000223864_100000211992 [0,1,0,0,0,0|2,0,0]=3 819 B10R0.101 CCCC(=O)N(CC)C(C)C 240690a_100000223864_100000211992 [0,1,0,0,0,0|2,0,0]=3 820 B10R0.101 CCCC(=O)N(CC)C(C)C 527a_100000223864_100000211992 [0,1,0,0,0,0|2,0,0]=3 821 B10R0.101 CCCN(C)C(CC)C(C)C 270004a_100000747261_100000210600 [0,1,0,0,0,0|3,0,0]=4 822 B10R0.101 CCN(C(=O)CCO)C(C)C 240690a_100000223864_100011216618 [0,1,0,0,0,0|3,0,0]=4 823 B10R0.101 CCN(C(=O)CNC)C(C)C 2230a_106832991635_100011282762 [0,1,0,0,0,0|3,0,0]=4 824 B10R0.101 CCN(C(=O)CNC)C(C)C 34a_100102657272_100011282762 [0,1,0,0,0,0|3,0,0]=4 825 B10R0.101 CCN(C(=O)CNC)C(C)C 7a_106832991635_100011282762 [0,1,0,0,0,0|3,0,0]=4 826 B10R0.101 CCN(C(=O)COC)C(C)C 11a_100000223864_100000210968 [0,1,0,0,0,0|3,0,0]=4 827 B10R0.101 CCN(C(=O)COC)C(C)C 1626a_100000223864_100000210968 [0,1,0,0,0,0|3,0,0]=4 828 B10R0.101 CCN(C(=O)COC)C(C)C 240690a_100000223864_100000210968 [0,1,0,0,0,0|3,0,0]=4 829 B10R0.101 CCN(C(=O)COC)C(C)C 34a_100138415774_100011282762 [0,1,0,0,0,0|3,0,0]=4 830 B10R0.101 CCN(C(=O)COC)C(C)C 527a_100000223864_100000210968 [0,1,0,0,0,0|3,0,0]=4 831 B10R0.101 CCN(C(=O)CSC)C(C)C 11a_100000223864_100000184570 [0,1,0,0,0,0|3,0,0]=4 832 B10R0.101 CCN(C(=O)CSC)C(C)C 1626a_100000223864_100000184570 [0,1,0,0,0,0|3,0,0]=4 833 B10R0.101 CCN(C(=O)CSC)C(C)C 240690a_100000223864_100000184570 [0,1,0,0,0,0|3,0,0]=4 834 B10R0.101 CCN(C(=O)CSC)C(C)C 527a_100000223864_100000184570 [0,1,0,0,0,0|3,0,0]=4 835 B10R0.101 CCN(C(=O)CSC)C(C)C 62a_100011282762_200000210301 [0,1,0,0,0,0|3,0,0]=4 836 B10R0.101 CCN(C(=O)CSC)C(C)C 62a_200000210301_100011282762 [0,1,0,0,0,0|3,0,0]=4 837 B10R0.101 CCN(C(=O)CS[13CH3])C(C)C 62a_100011282762_200025704644 [0,1,0,0,0,0|3,0,0]=4 838 B10R0.101 CCN(C(=O)CS[13CH3])C(C)C 62a_200025704644_100011282762 [0,1,0,0,0,0|3,0,0]=4 839 B10R0.101 CCNC(=O)C(CC)N(C)C 240690a_100015525214_100000689100 [0,1,0,0,0,0|2,0,0]=3 840 B10R0.101 CCNC(=O)C(CC)N(C)C 527a_100015525214_100000689100 [0,1,0,0,0,0|2,0,0]=3 841 B10R0.101 CCNC(=O)N(CC)C(C)C 2708a_100015525214_100000223864 [0,1,0,0,0,0|2,0,0]=3 842 B10R0.101 CCNC(=O)N(CC)C(C)C 273464a_100015525214_100000223864 [0,1,0,0,0,0|2,0,0]=3 843 B10R0.101 CCOC(=O)C(CC)C(=O)C 1458a_100000070787_100000212269 [0,1,0,0,0,0|0,0,1]=2 844 B10R0.101 CCOC(=O)C(CC)N(C)C 2230a_100102631434_100000212269 [0,1,0,0,0,0|1,0,0]=2 845 B10R0.101 CCOC(=O)C(CC)N(C)C 269982a_100102631434_100000212269 [0,1,0,0,0,0|1,0,0]=2 846 B10R0.101 CCOC(=O)C(NC)C(=O)C 34a_100102657272_100009831564 [0,1,0,0,0,0|1,0,1]=3 847 B10R0.101 CCOC(=O)C(NC)C(C)C 34a_100102657272_100000740032 [0,1,0,0,0,0|1,0,0]=2 848 B10R0.101 CCOC(=O)C(NC)C(C)C 7a_106832991635_100000740032 [0,1,0,0,0,0|1,0,0]=2 849 B10R0.101 CCOC(=O)C(OC)C(=O)C 34a_100138415774_100009831564 [0,1,0,0,0,0|1,0,1]=3 850 B10R0.101 CCOC(=O)C(OC)C(C)C 34a_100138415774_100000740032 [0,1,0,0,0,0|1,0,0]=2 851 B10R0.101 CCOC(=O)C(SC)C(=O)C 1458a_100000070787_100009893047 [0,1,0,0,0,0|1,0,1]=3 852 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_100000211040_200000210301 [0,1,0,0,0,0|1,0,1]=3 853 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_200000210301_100000211040 [0,1,0,0,0,0|1,0,1]=3 854 B10R0.101 CCOC(=O)C(SC)C(C)C 62a_100000740032_200000210301 [0,1,0,0,0,0|1,0,0]=2 855 B10R0.101 CCOC(=O)C(SC)C(C)C 62a_200000210301_100000740032 [0,1,0,0,0,0|1,0,0]=2 856 B10R0.101 CCOC(=O)C(SC)N(C)C 269982a_100102631434_100009893047 [0,1,0,0,0,0|2,0,0]=3 857 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_100000211040_200025704644 [0,1,0,0,0,0|1,0,1]=3 858 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000211040 [0,1,0,0,0,0|1,0,1]=3 859 B10R0.101 CCOC(=O)C(S[13CH3])C(C)C 62a_100000740032_200025704644 [0,1,0,0,0,0|1,0,0]=2 860 B10R0.101 CCOC(=O)C(S[13CH3])C(C)C 62a_200025704644_100000740032 [0,1,0,0,0,0|1,0,0]=2 861 B10R0.130 C#CCC(=O)C(C)(CC)CC 1458a_100000760562_100000184674 [0,1,0,0,0,0|1,0,2]=4 862 B10R0.130 C#CCC(=O)C(C)(CC)CC 1458a_100011220946_100009817345 [0,1,0,0,0,0|1,0,2]=4 863 B10R0.130 C=CCC(=O)C(C)(CC)CC 1458a_100000210193_100009817345 [0,1,0,0,0,0|1,0,2]=4 864 B10R0.130 C=CCC(=O)C(C)(CC)CC 1458a_100000760562_100000210623 [0,1,0,0,0,0|1,0,2]=4 865 B10R0.130 CC#CC(=O)C(C)(CC)CC 1458a_100000763181_100009817345 [0,1,0,0,0,0|1,0,1]=3 866 B10R0.130 CC=CC(=O)C(C)(CC)CC 1458a_100000210699_100009817345 [0,1,0,0,0,0|1,0,1]=3 867 B10R0.130 CCC(C)(CC)C(=O)C=CBr 1458a_100016273825_100009817345 [0,1,0,0,0,0|2,0,1]=4 868 B10R0.130 CCC(C)(CC)C(=O)C=CCl 1458a_200016279998_100009817345 [0,1,0,0,0,0|2,0,1]=4 869 B10R0.130 CCC(C)(CC)C(=O)C=CI 1458a_100016256311_100009817345 [0,1,0,0,0,0|2,0,1]=4 870 B10R0.130 CCC(C)(CC)C(=O)CC#N 1458a_100000760562_100011214920 [0,1,0,0,0,0|2,0,1]=4 871 B10R0.130 CCC(C)(CC)C(=O)CC#N 1458a_100051588842_100009817345 [0,1,0,0,0,0|2,0,1]=4 872 B10R0.130 CCC(C)(CC)C(=O)CCF 1458a_100000760562_100011217306 [0,1,0,0,0,0|2,0,0]=3 873 B10R0.130 CCC(C)(CC)C(=O)CCO 1458a_100000760562_100000211926 [0,1,0,0,0,0|2,0,0]=3 874 B10R0.130 CCC(C)(CC)C(=O)CCO 1458a_100011216618_100009817345 [0,1,0,0,0,0|2,0,0]=3 875 B10R0.130 CCC(C)(CC)C(=O)COC 1458a_100000210968_100009817345 [0,1,0,0,0,0|2,0,0]=3 876 B10R0.130 CCC(C)(CC)C(=O)CSC 1458a_100000184570_100009817345 [0,1,0,0,0,0|2,0,0]=3 877 B10R0.130 CCC(C)(CC)C(=O)NNC 22a_100016993582_100000760562 [0,1,0,0,0,0|2,0,0]=3 878 B10R0.130 CCCC(=O)C(C)(CC)CC 1458a_100000211992_100009817345 [0,1,0,0,0,0|1,0,0]=2 879 B10R0.130 CCCC(=O)C(C)(CC)CC 1458a_100000760562_100000210303 [0,1,0,0,0,0|1,0,0]=2 880 B10R0.130 CCCC(=O)C(C)(CO)CO 1458a_100000693232_100000210303 [0,1,0,0,0,0|3,0,0]=4 881 B10R0.130 CCCN(C)C(C)(CC)CC 269982a_100000747261_100009817345 [0,1,0,0,0,0|3,0,0]=4 882 B10R0.130 CCNC(=O)C(C)(CC)CC 11a_100015525214_100000760562 [0,1,0,0,0,0|1,0,0]=2 883 B10R0.130 CCNC(=O)C(C)(CC)CC 240690a_100015525214_100000760562 [0,1,0,0,0,0|1,0,0]=2 884 B10R0.130 CCNC(=O)C(C)(CC)CC 527a_100015525214_100000760562 [0,1,0,0,0,0|1,0,0]=2 885 B10R0.130 CCNC(=O)C(C)(CO)CO 240690a_100015525214_100000693232 [0,1,0,0,0,0|3,0,0]=4 886 B10R0.144 C=C(C)CC(=O)C(CC)CC 1458a_100000211163_100000748629 [0,1,0,0,0,0|1,0,1]=3 887 B10R0.144 C=C(C)CC(=O)C(CC)OC 1458a_100000747056_100000748629 [0,1,0,0,0,0|2,0,1]=4 888 B10R0.144 C=C(F)CC(=O)C(CC)CC 1458a_100000211163_100009893438 [0,1,0,0,0,0|1,0,2]=4 889 B10R0.144 CCC(CC)C(=O)C=C(C)C 1458a_100000211388_100000210505 [0,1,0,0,0,0|1,0,1]=3 890 B10R0.144 CCC(CC)C(=O)C=C(C)Cl 1458a_200042562850_100000210505 [0,1,0,0,0,0|1,0,1]=3 891 B10R0.144 CCC(CC)C(=O)C=C(C)I 1458a_100025716642_100000210505 [0,1,0,0,0,0|1,0,1]=3 892 B10R0.144 CCC(CC)C(=O)C=C(Cl)Cl 1458a_100000137448_100000210505 [0,1,0,0,0,0|2,0,1]=4 893 B10R0.144 CCC(CC)C(=O)CC(=O)N 1458a_100000211163_100000187820 [0,1,0,0,0,0|2,0,1]=4 894 B10R0.144 CCC(CC)C(=O)CC(=O)N 1458a_100134613110_100000210505 [0,1,0,0,0,0|2,0,1]=4 895 B10R0.144 CCC(CC)C(=O)CC(=O)[O-] 1458a_100000211163_100020667443 [0,1,0,0,0,0|2,0,1]=4 896 B10R0.144 CCC(CC)C(=O)CC(C)C 1458a_100000210554_100000210505 [0,1,0,0,0,0|1,0,0]=2 897 B10R0.144 CCC(CC)C(=O)CC(C)C 1458a_100000211163_100000210624 [0,1,0,0,0,0|1,0,0]=2 898 B10R0.144 CCC(CC)C(=O)CC(C)O 1458a_100000211163_100011218427 [0,1,0,0,0,0|1,0,0]=2 899 B10R0.144 CCC(CC)C(=O)CC(F)F 1458a_100000211163_100011934356 [0,1,0,0,0,0|2,0,0]=3 900 B10R0.144 CCC(CC)C(=O)CN(C)C 1458a_100000750896_100000210505 [0,1,0,0,0,0|2,0,0]=3 901 B10R0.144 CCC(CC)C(=O)C[C@@H](C)O 1458a_100011933948_100000210505 [0,1,0,0,0,0|1,0,0]=2 902 B10R0.144 CCC(CC)C(=O)C[N+](=O)[O-] 1458a_100000211163_100000761209 [0,1,0,0,0,0|3,0,0]=4 903 B10R0.144 CCC(CC)C(=O)C[S+](C)C 1458a_200159257847_100000210505 [0,1,0,0,0,0|2,0,0]=3 904 B10R0.144 CCC(CC)C(=O)NC(C)C 11a_100138425928_100000211163 [0,1,0,0,0,0|1,0,0]=2 905 B10R0.144 CCC(CC)C(=O)NC(C)C 1626a_100138425928_100000211163 [0,1,0,0,0,0|1,0,0]=2 906 B10R0.144 CCC(CC)C(=O)NC(C)C 240690a_100138425928_100000211163 [0,1,0,0,0,0|1,0,0]=2 907 B10R0.144 CCC(CC)C(=O)NC(C)C 527a_100138425928_100000211163 [0,1,0,0,0,0|1,0,0]=2 908 B10R0.144 CCC(CC)N(C)CC(C)C 2230a_100000737045_100000210760 [0,1,0,0,0,0|3,0,0]=4 909 B10R0.144 CCC(CC)N(C)CC(C)C 269982a_100000737045_100000210624 [0,1,0,0,0,0|3,0,0]=4 910 B10R0.144 CCC(CC)N(C)CC(C)C 269982a_100000747067_100000210505 [0,1,0,0,0,0|3,0,0]=4 911 B10R0.144 CCC(CC)N(C)CC(C)C 270004a_100000737045_100000210432 [0,1,0,0,0,0|3,0,0]=4 912 B10R0.144 CCC(CC)N(C)CC(C)C 270004a_100000747067_100000210860 [0,1,0,0,0,0|3,0,0]=4 913 B10R0.144 CCC(CC)N(C)CC(C)O 2230a_100000737045_100011218427 [0,1,0,0,0,0|3,0,0]=4 914 B10R0.144 CCC(CC)N(C)CC(C)O 269982a_100000227577_100000210505 [0,1,0,0,0,0|3,0,0]=4 915 B10R0.144 CCC(CC)N(C)CC(C)O 269982a_100000737045_100011218427 [0,1,0,0,0,0|3,0,0]=4 916 B10R0.144 CCC(CC)N(C)CC(C)O 270004a_100000227577_100000210860 [0,1,0,0,0,0|3,0,0]=4 917 B10R0.144 CCC(CC)N(C)C[C@@H](C)O 2230a_100000737045_100009817552 [0,1,0,0,0,0|3,0,0]=4 918 B10R0.144 CCC(CC)N(C)C[C@@H](C)O 269982a_100000737045_100009817552 [0,1,0,0,0,0|3,0,0]=4 919 B10R0.144 CCC(NC)C(=O)NC(C)C 2230a_106832991635_200011763342 [0,1,0,0,0,0|2,0,0]=3 920 B10R0.144 CCC(NC)C(=O)NC(C)C 34a_100102657272_200011763342 [0,1,0,0,0,0|2,0,0]=3 921 B10R0.144 CCC(NC)C(=O)NC(C)C 7a_106832991635_200011763342 [0,1,0,0,0,0|2,0,0]=3 922 B10R0.144 CCC(OC)C(=O)CC(C)C 1458a_100000747056_100000210624 [0,1,0,0,0,0|2,0,0]=3 923 B10R0.144 CCC(OC)C(=O)CC(C)O 1458a_100000747056_100011218427 [0,1,0,0,0,0|2,0,0]=3 924 B10R0.144 CCC(OC)C(=O)CC(F)F 1458a_100000747056_100011934356 [0,1,0,0,0,0|3,0,0]=4 925 B10R0.144 CCC(OC)C(=O)NC(C)C 11a_100138425928_100000747056 [0,1,0,0,0,0|2,0,0]=3 926 B10R0.144 CCC(OC)C(=O)NC(C)C 1626a_100138425928_100000747056 [0,1,0,0,0,0|2,0,0]=3 927 B10R0.144 CCC(OC)C(=O)NC(C)C 240690a_100138425928_100000747056 [0,1,0,0,0,0|2,0,0]=3 928 B10R0.144 CCC(OC)C(=O)NC(C)C 34a_100138415774_200011763342 [0,1,0,0,0,0|2,0,0]=3 929 B10R0.144 CCC(OC)C(=O)NC(C)C 527a_100138425928_100000747056 [0,1,0,0,0,0|2,0,0]=3 930 B10R0.144 CCC(SC)C(=O)NC(C)C 62a_200000210301_200011763342 [0,1,0,0,0,0|2,0,0]=3 931 B10R0.144 CCC(SC)C(=O)NC(C)C 62a_200011763342_200000210301 [0,1,0,0,0,0|2,0,0]=3 932 B10R0.144 CCC(S[13CH3])C(=O)NC(C)C 62a_200011763342_200025704644 [0,1,0,0,0,0|2,0,0]=3 933 B10R0.144 CCC(S[13CH3])C(=O)NC(C)C 62a_200025704644_200011763342 [0,1,0,0,0,0|2,0,0]=3 934 B10R0.144 CCN(CC)C(=O)C=C(C)C 11a_100000724800_100000211388 [0,1,0,0,0,0|2,0,1]=4 935 B10R0.144 CCN(CC)C(=O)C=C(C)C 1626a_100000724800_100000211388 [0,1,0,0,0,0|2,0,1]=4 936 B10R0.144 CCN(CC)C(=O)C=C(C)C 240690a_100000724800_100000211388 [0,1,0,0,0,0|2,0,1]=4 937 B10R0.144 CCN(CC)C(=O)C=C(C)Cl 11a_100000724800_200042562850 [0,1,0,0,0,0|2,0,1]=4 938 B10R0.144 CCN(CC)C(=O)C=C(C)Cl 1626a_100000724800_200042562850 [0,1,0,0,0,0|2,0,1]=4 939 B10R0.144 CCN(CC)C(=O)C=C(C)Cl 240690a_100000724800_200042562850 [0,1,0,0,0,0|2,0,1]=4 940 B10R0.144 CCN(CC)C(=O)C=C(C)I 11a_100000724800_100025716642 [0,1,0,0,0,0|2,0,1]=4 941 B10R0.144 CCN(CC)C(=O)C=C(C)I 1626a_100000724800_100025716642 [0,1,0,0,0,0|2,0,1]=4 942 B10R0.144 CCN(CC)C(=O)CC(=O)C 1458a_100000070787_100000211521 [0,1,0,0,0,0|2,0,1]=4 943 B10R0.144 CCN(CC)C(=O)CC(C)C 11a_100000724800_100000210554 [0,1,0,0,0,0|2,0,0]=3 944 B10R0.144 CCN(CC)C(=O)CC(C)C 1626a_100000724800_100000210554 [0,1,0,0,0,0|2,0,0]=3 945 B10R0.144 CCN(CC)C(=O)CC(C)C 240690a_100000724800_100000210554 [0,1,0,0,0,0|2,0,0]=3 946 B10R0.144 CCN(CC)C(=O)CC(C)C 527a_100000724800_100000210554 [0,1,0,0,0,0|2,0,0]=3 947 B10R0.144 CCN(CC)C(=O)CN(C)C 11a_100000724800_100000750896 [0,1,0,0,0,0|3,0,0]=4 948 B10R0.144 CCN(CC)C(=O)CN(C)C 2230a_100000181456_200000210301 [0,1,0,0,0,0|3,0,0]=4 949 B10R0.144 CCN(CC)C(=O)CN(C)C 2230a_100102631434_100000211521 [0,1,0,0,0,0|3,0,0]=4 950 B10R0.144 CCN(CC)C(=O)CN(C)C 240690a_100000724800_100000750896 [0,1,0,0,0,0|3,0,0]=4 951 B10R0.144 CCN(CC)C(=O)CN(C)C 269982a_100000181456_200000210301 [0,1,0,0,0,0|3,0,0]=4 952 B10R0.144 CCN(CC)C(=O)CN(C)C 269982a_100102631434_100000211521 [0,1,0,0,0,0|3,0,0]=4 953 B10R0.144 CCN(CC)C(=O)CN(C)C 527a_100000724800_100000750896 [0,1,0,0,0,0|3,0,0]=4 954 B10R0.144 CCN(CC)C(=O)CN(C)[13CH3] 2230a_100000181456_200025704644 [0,1,0,0,0,0|3,0,0]=4 955 B10R0.144 CCN(CC)C(=O)CN(C)[13CH3] 269982a_100000181456_200025704644 [0,1,0,0,0,0|3,0,0]=4 956 B10R0.144 CCN(CC)C(=O)C[C@@H](C)O 240690a_100000724800_100011933948 [0,1,0,0,0,0|2,0,0]=3 957 B10R0.144 CCN(CC)C(=O)C[S+](C)C 11a_100000724800_200159257847 [0,1,0,0,0,0|3,0,0]=4 958 B10R0.144 CCN(CC)C(=O)C[S+](C)C 1626a_100000724800_200159257847 [0,1,0,0,0,0|3,0,0]=4 959 B10R0.144 CCN(CC)C(=O)C[S+](C)C 240690a_100000724800_200159257847 [0,1,0,0,0,0|3,0,0]=4 960 B10R0.144 CCN(CC)C(=O)C[S+](C)C 527a_100000724800_200159257847 [0,1,0,0,0,0|3,0,0]=4 961 B10R0.144 CCN(CC)C(=O)NC(C)C 2708a_100138425928_100000724800 [0,1,0,0,0,0|2,0,0]=3 962 B10R0.144 CCN(CC)C(=O)NC(C)C 273464a_100138425928_100000724800 [0,1,0,0,0,0|2,0,0]=3 963 B10R0.144 COC(OC)C(=O)CC(C)C 1458a_100000046285_100000210624 [0,1,0,0,0,0|3,0,0]=4 964 B10R0.144 COC(OC)C(=O)CC(C)O 1458a_100000046285_100011218427 [0,1,0,0,0,0|3,0,0]=4 965 B10R0.144 COC(OC)C(=O)NC(C)C 11a_100138425928_100000046285 [0,1,0,0,0,0|3,0,0]=4 966 B10R0.144 COC(OC)C(=O)NC(C)C 240690a_100138425928_100000046285 [0,1,0,0,0,0|3,0,0]=4 967 B10R0.144 COC(OC)C(=O)NC(C)C 527a_100138425928_100000046285 [0,1,0,0,0,0|3,0,0]=4 968 B10R1.5 CCCN1CCCC1CC 2230a_100000754278_100000210303 [0,0,0,1,0,0|3,0,0]=4 969 B10R1.5 CCCN1CCCC1CC 269982a_100000754278_100000210303 [0,0,0,1,0,0|3,0,0]=4 970 B10R1.5 CCCN1CCCC1CC 34a_100000754278_100000210303 [0,0,0,1,0,0|3,0,0]=4 971 B10R1.5 CCNC1CCCC1CC 269862a_100015525214_100000749056 [0,0,0,1,0,0|2,0,1]=4 972 B10R1.5 CCNC1CCCC1CC 270004a_100015525214_100000749056 [0,0,0,1,0,0|2,0,1]=4 973 B10R1.9 CCC(CC)N1CCCC1 269982a_100000188435_100000210505 [0,0,0,1,0,0|3,0,0]=4 974 B10R1.9 CCC(CC)N1CCCC1 270004a_100000188435_100000210860 [0,0,0,1,0,0|3,0,0]=4 975 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100000210718_100000184674 [0,0,0,1,0,0|1,0,2]=4 976 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100011220946_100000179811 [0,0,0,1,0,0|1,0,2]=4 977 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210193_100000179811 [0,0,0,1,0,0|1,0,2]=4 978 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210718_100000210623 [0,0,0,1,0,0|1,0,2]=4 979 B10R1.11 CC#CC(=O)C1CCCC1 1458a_100000763181_100000179811 [0,0,0,1,0,0|1,0,1]=3 980 B10R1.11 CC#CC(=O)C1CCOC1 1458a_100000763181_100000690089 [0,0,0,1,0,0|2,0,1]=4 981 B10R1.11 CC(OCF)C1CCCC1 34a_100011216366_100015361967 [0,0,0,1,0,0|2,0,1]=4 982 B10R1.11 CC(OCF)C1CCCC1 7a_100011216366_100015361967 [0,0,0,1,0,0|2,0,1]=4 983 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [0,0,0,1,0,0|1,0,1]=3 984 B10R1.11 CC=CC(=O)C1CCOC1 1458a_100000210699_100000690089 [0,0,0,1,0,0|2,0,1]=4 985 B10R1.11 CC=CC(=O)N1CCCC1 240690a_100000188435_100000210699 [0,0,0,1,0,0|2,0,1]=4 986 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,0,0,1,0,0|1,0,2]=4 987 B10R1.11 CCCC(=O)C1CC=CC1 1458a_100000759439_100000210303 [0,0,0,1,0,0|1,0,2]=4 988 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,0,0,1,0,0|1,0,0]=2 989 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,0,0,1,0,0|1,0,0]=2 990 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,0,0,1,0,0|2,0,0]=3 991 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [0,0,0,1,0,0|2,0,0]=3 992 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [0,0,0,1,0,0|2,0,0]=3 993 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [0,0,0,1,0,0|2,0,0]=3 994 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [0,0,0,1,0,0|2,0,0]=3 995 B10R1.11 CCCC(=O)N1CCSC1 11a_100011215254_100000211992 [0,0,0,1,0,0|3,0,0]=4 996 B10R1.11 CCCC(=O)N1CCSC1 240690a_100011215254_100000211992 [0,0,0,1,0,0|3,0,0]=4 997 B10R1.11 CCCC(=O)N1CCSC1 527a_100011215254_100000211992 [0,0,0,1,0,0|3,0,0]=4 998 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,0,0,1,0,0|2,0,0]=3 999 B10R1.11 CCCN(C)C1CCCC1 2230a_100000201646_200000210301 [0,0,0,1,0,0|3,0,0]=4 1000 B10R1.11 CCCN(C)C1CCCC1 2230a_100000207505_100000210303 [0,0,0,1,0,0|3,0,0]=4 1001 B10R1.11 CCCN(C)C1CCCC1 2230a_100000747261_100000179811 [0,0,0,1,0,0|3,0,0]=4 1002 B10R1.11 CCCN(C)C1CCCC1 269982a_100000201646_200000210301 [0,0,0,1,0,0|3,0,0]=4 1003 B10R1.11 CCCN(C)C1CCCC1 269982a_100000207505_100000210303 [0,0,0,1,0,0|3,0,0]=4 1004 B10R1.11 CCCN(C)C1CCCC1 269982a_100000747261_100000179811 [0,0,0,1,0,0|3,0,0]=4 1005 B10R1.11 CCCN(C)C1CCCC1 270004a_100000747261_100000210133 [0,0,0,1,0,0|3,0,0]=4 1006 B10R1.11 CCCN(C)C1CCCC1 34a_100000201646_200000210301 [0,0,0,1,0,0|3,0,0]=4 1007 B10R1.11 CCCN(C)C1CCCC1 34a_100000207505_100000210303 [0,0,0,1,0,0|3,0,0]=4 1008 B10R1.11 CCCN([13CH3])C1CCCC1 2230a_100000201646_200025704644 [0,0,0,1,0,0|3,0,0]=4 1009 B10R1.11 CCCN([13CH3])C1CCCC1 269982a_100000201646_200025704644 [0,0,0,1,0,0|3,0,0]=4 1010 B10R1.11 CCCN([13CH3])C1CCCC1 34a_100000201646_200025704644 [0,0,0,1,0,0|3,0,0]=4 1011 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,0,0,1,0,0|1,0,2]=4 1012 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,0,0,1,0,0|1,0,2]=4 1013 B10R1.11 CCNC(=O)C1CC=CC1 11a_100015525214_100000759439 [0,0,0,1,0,0|1,0,2]=4 1014 B10R1.11 CCNC(=O)C1CC=CC1 240690a_100015525214_100000759439 [0,0,0,1,0,0|1,0,2]=4 1015 B10R1.11 CCNC(=O)C1CC=CC1 527a_100015525214_100000759439 [0,0,0,1,0,0|1,0,2]=4 1016 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,0,0,1,0,0|1,0,0]=2 1017 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,0,0,1,0,0|1,0,0]=2 1018 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,0,0,1,0,0|1,0,0]=2 1019 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [0,0,0,1,0,0|2,0,0]=3 1020 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [0,0,0,1,0,0|2,0,0]=3 1021 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [0,0,0,1,0,0|2,0,0]=3 1022 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [0,0,0,1,0,0|2,0,0]=3 1023 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [0,0,0,1,0,0|2,0,0]=3 1024 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [0,0,0,1,0,0|2,0,0]=3 1025 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [0,0,0,1,0,0|2,0,0]=3 1026 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [0,0,0,1,0,0|2,0,0]=3 1027 B10R1.11 CCNC(=O)N1CCSC1 2708a_100015525214_100011215254 [0,0,0,1,0,0|3,0,0]=4 1028 B10R1.11 CCNC(=O)N1CCSC1 273464a_100015525214_100011215254 [0,0,0,1,0,0|3,0,0]=4 1029 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [0,0,0,1,0,0|2,0,0]=3 1030 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [0,0,0,1,0,0|2,0,0]=3 1031 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [0,0,0,1,0,0|2,0,0]=3 1032 B10R1.11 CCNC(C)C1CCCC1 2230a_100015185923_100000210202 [0,0,0,1,0,0|2,0,1]=4 1033 B10R1.11 CCNC(C)C1CCCC1 269862a_100015525214_100000749594 [0,0,0,1,0,0|2,0,1]=4 1034 B10R1.11 CCNC(C)C1CCCC1 270004a_100015525214_100000749594 [0,0,0,1,0,0|2,0,1]=4 1035 B10R1.11 CCNC(C)C1CCCC1 34a_100015185923_100000210202 [0,0,0,1,0,0|2,0,1]=4 1036 B10R1.11 CCOC(C)C1CCCC1 34a_100011216366_100000210202 [0,0,0,1,0,0|1,0,1]=3 1037 B10R1.11 CCOC(C)C1CCCC1 7a_100011216366_100000210202 [0,0,0,1,0,0|1,0,1]=3 1038 B10R1.11 CNCC(=O)N1CCCC1 2230a_100000751844_200000210301 [0,0,0,1,0,0|3,0,0]=4 1039 B10R1.11 CNCC(=O)N1CCCC1 2230a_106832991635_100000183516 [0,0,0,1,0,0|3,0,0]=4 1040 B10R1.11 CNCC(=O)N1CCCC1 34a_100102657272_100000183516 [0,0,0,1,0,0|3,0,0]=4 1041 B10R1.11 CNCC(=O)N1CCCC1 7a_106832991635_100000183516 [0,0,0,1,0,0|3,0,0]=4 1042 B10R1.11 CNNC(=O)C1CCCC1 22a_100016993582_100000210718 [0,0,0,1,0,0|2,0,0]=3 1043 B10R1.11 CNNC(=O)C1CCCS1 22a_100016993582_100012002731 [0,0,0,1,0,0|3,0,0]=4 1044 B10R1.11 CNNC(=O)C1CCOC1 22a_100016993582_100011219752 [0,0,0,1,0,0|3,0,0]=4 1045 B10R1.11 CNNC(=O)[C@@H]1CCCO1 22a_100016993582_100000686382 [0,0,0,1,0,0|3,0,0]=4 1046 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,0,0,1,0,0|2,0,0]=3 1047 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [0,0,0,1,0,0|3,0,0]=4 1048 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [0,0,0,1,0,0|3,0,0]=4 1049 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [0,0,0,1,0,0|3,0,0]=4 1050 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [0,0,0,1,0,0|3,0,0]=4 1051 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [0,0,0,1,0,0|3,0,0]=4 1052 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [0,0,0,1,0,0|2,0,0]=3 1053 B10R1.11 CSCC(=O)C1CCOC1 1458a_100000184570_100000690089 [0,0,0,1,0,0|3,0,0]=4 1054 B10R1.11 CSCC(=O)N1CCCC1 240690a_100000188435_100000184570 [0,0,0,1,0,0|3,0,0]=4 1055 B10R1.11 CSCC(=O)N1CCCC1 527a_100000188435_100000184570 [0,0,0,1,0,0|3,0,0]=4 1056 B10R1.11 CSCC(=O)N1CCCC1 62a_100000183516_200000210301 [0,0,0,1,0,0|3,0,0]=4 1057 B10R1.11 CSCC(=O)N1CCCC1 62a_200000210301_100000183516 [0,0,0,1,0,0|3,0,0]=4 1058 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100000210718_100011214920 [0,0,0,1,0,0|2,0,1]=4 1059 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100051588842_100000179811 [0,0,0,1,0,0|2,0,1]=4 1060 B10R1.11 O=C(C=CBr)C1CCCC1 1458a_100016273825_100000179811 [0,0,0,1,0,0|2,0,1]=4 1061 B10R1.11 O=C(C=CCl)C1CCCC1 1458a_200016279998_100000179811 [0,0,0,1,0,0|2,0,1]=4 1062 B10R1.11 O=C(C=CI)C1CCCC1 1458a_100016256311_100000179811 [0,0,0,1,0,0|2,0,1]=4 1063 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,0,0,1,0,0|2,0,0]=3 1064 B10R1.11 O=C(CCF)C1CCCS1 1458a_100012002731_100011217306 [0,0,0,1,0,0|3,0,0]=4 1065 B10R1.11 O=C(CCF)C1CCOC1 1458a_100011219752_100011217306 [0,0,0,1,0,0|3,0,0]=4 1066 B10R1.11 O=C(CCF)[C@@H]1CCCO1 1458a_100000686382_100011217306 [0,0,0,1,0,0|3,0,0]=4 1067 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,0,0,1,0,0|2,0,0]=3 1068 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,0,0,1,0,0|2,0,0]=3 1069 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [0,0,0,1,0,0|3,0,0]=4 1070 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [0,0,0,1,0,0|3,0,0]=4 1071 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [0,0,0,1,0,0|3,0,0]=4 1072 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [0,0,0,1,0,0|3,0,0]=4 1073 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [0,0,0,1,0,0|3,0,0]=4 1074 B10R1.11 [13CH3]NCC(=O)N1CCCC1 2230a_100000751844_200025704644 [0,0,0,1,0,0|3,0,0]=4 1075 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [0,0,0,1,0,0|3,0,0]=4 1076 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_100000183516_200025704644 [0,0,0,1,0,0|3,0,0]=4 1077 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_200025704644_100000183516 [0,0,0,1,0,0|3,0,0]=4 1078 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,0,0,1,0,0|2,0,0]=3 1079 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,0,0,1,0,0|2,0,0]=3 1080 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,0,0,1,0,0|2,0,0]=3 1081 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,0,0,1,0,0|2,0,0]=3 1082 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,0,0,1,0,0|2,0,0]=3 1083 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,0,0,1,0,0|2,0,0]=3 1084 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,0,0,1,0,0|2,0,0]=3 1085 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,0,0,1,0,0|2,0,0]=3 1086 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,0,0,1,0,0|2,0,0]=3 1087 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,0,0,1,0,0|2,0,0]=3 1088 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,0,0,1,0,0|2,0,0]=3 1089 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,0,0,1,0,0|2,0,0]=3 1090 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,0,0,1,0,0|2,0,0]=3 1091 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,0,0,1,0,0|2,0,0]=3 1092 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,0,0,1,0,0|2,0,0]=3 1093 B10R1.25 CCN1CCN(CC1=O)C 2230a_100000701330_200000210301 [0,0,0,1,0,0|3,0,0]=4 1094 B10R1.25 CCN1CCN(CC1=O)C 269982a_100000701330_200000210301 [0,0,0,1,0,0|3,0,0]=4 1095 B10R1.25 CCN1CCN(CC1=O)[13CH3] 2230a_100000701330_200025704644 [0,0,0,1,0,0|3,0,0]=4 1096 B10R1.25 CCN1CCN(CC1=O)[13CH3] 269982a_100000701330_200025704644 [0,0,0,1,0,0|3,0,0]=4 1097 B10R1.125 CCC(CC)N1CC(C1)C 269982a_100000702820_100000210505 [0,0,0,1,0,0|3,0,0]=4 1098 B10R1.125 CCC(CC)N1CC(C1)C 270004a_100000702820_100000210860 [0,0,0,1,0,0|3,0,0]=4 1099 B10R1.139 CC1CCN1C(=O)CCO 240690a_100000755817_100011216618 [0,0,0,1,0,0|3,0,0]=4 1100 B10R1.139 CC=CC(=O)N1CCC1C 11a_100000755817_100000210699 [0,0,0,1,0,0|2,0,1]=4 1101 B10R1.139 CC=CC(=O)N1CCC1C 240690a_100000755817_100000210699 [0,0,0,1,0,0|2,0,1]=4 1102 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,0,0,1,0,0|2,0,1]=4 1103 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [0,0,0,1,0,0|2,0,0]=3 1104 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [0,0,0,1,0,0|2,0,0]=3 1105 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [0,0,0,1,0,0|2,0,0]=3 1106 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [0,0,0,1,0,0|2,0,0]=3 1107 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [0,0,0,1,0,0|2,0,0]=3 1108 B10R1.139 COCC(=O)N1CCC1C 11a_100000755817_100000210968 [0,0,0,1,0,0|3,0,0]=4 1109 B10R1.139 COCC(=O)N1CCC1C 240690a_100000755817_100000210968 [0,0,0,1,0,0|3,0,0]=4 1110 B10R1.139 COCC(=O)N1CCC1C 527a_100000755817_100000210968 [0,0,0,1,0,0|3,0,0]=4 1111 B10R1.139 CSCC(=O)N1CCC1C 11a_100000755817_100000184570 [0,0,0,1,0,0|3,0,0]=4 1112 B10R1.139 CSCC(=O)N1CCC1C 240690a_100000755817_100000184570 [0,0,0,1,0,0|3,0,0]=4 1113 B10R1.139 CSCC(=O)N1CCC1C 527a_100000755817_100000184570 [0,0,0,1,0,0|3,0,0]=4 1114 B10R1.222 CCC(CC)C(=O)C1CC1 1458a_100000210395_100000210505 [0,0,0,1,0,0|1,0,0]=2 1115 B10R1.222 CCC(CC)C(=O)C1CO1 1458a_100000701028_100000210505 [0,0,0,1,0,0|2,0,0]=3 1116 B10R1.222 CCC(CC)N(C)C1CC1 269982a_100000226674_100000210505 [0,0,0,1,0,0|3,0,0]=4 1117 B10R1.222 CCC(CC)N(C)C1CC1 269982a_100000737045_100000211595 [0,0,0,1,0,0|3,0,0]=4 1118 B10R1.222 CCC(CC)N(C)C1CC1 270004a_100000226674_100000210860 [0,0,0,1,0,0|3,0,0]=4 1119 B10R1.222 CCN(CC)C(=O)C1CC1 11a_100000724800_100000210395 [0,0,0,1,0,0|2,0,0]=3 1120 B10R1.222 CCN(CC)C(=O)C1CC1 1626a_100000724800_100000210395 [0,0,0,1,0,0|2,0,0]=3 1121 B10R1.222 CCN(CC)C(=O)C1CC1 240690a_100000724800_100000210395 [0,0,0,1,0,0|2,0,0]=3 1122 B10R1.222 CCN(CC)C(=O)C1CC1 527a_100000724800_100000210395 [0,0,0,1,0,0|2,0,0]=3 1123 B10R1.222 CCN(CC)C(=O)C1CO1 11a_100000724800_100000701028 [0,0,0,1,0,0|3,0,0]=4 1124 B10R1.222 CCN(CC)C(=O)C1CO1 1626a_100000724800_100000701028 [0,0,0,1,0,0|3,0,0]=4 1125 B10R1.222 CCN(CC)C(=O)C1CO1 240690a_100000724800_100000701028 [0,0,0,1,0,0|3,0,0]=4 1126 B10R1.222 CCN(CC)C(=O)C1CO1 527a_100000724800_100000701028 [0,0,0,1,0,0|3,0,0]=4 1127 B10R1.245 CCC1C(=O)NCCN1C 2230a_100000187962_200000210301 [0,0,0,1,0,0|2,0,0]=3 1128 B10R1.245 CCC1C(=O)NCCN1C 269982a_100000187962_200000210301 [0,0,0,1,0,0|2,0,0]=3 1129 B10R1.245 CCC1C(=O)NCCN1C 34a_100000187962_200000210301 [0,0,0,1,0,0|2,0,0]=3 1130 B10R1.245 CCC1C(=O)NCCN1[13CH3] 2230a_100000187962_200025704644 [0,0,0,1,0,0|2,0,0]=3 1131 B10R1.245 CCC1C(=O)NCCN1[13CH3] 269982a_100000187962_200025704644 [0,0,0,1,0,0|2,0,0]=3 1132 B10R1.245 CCC1C(=O)NCCN1[13CH3] 34a_100000187962_200025704644 [0,0,0,1,0,0|2,0,0]=3 1133 B10R1.405 C#CC1(CC1)C(=O)CCC 1458a_100000139144_100000210303 [0,0,0,1,0,0|1,0,2]=4 1134 B10R1.405 C#CC1(CC1)C(=O)NCC 11a_100015525214_100000139144 [0,0,0,1,0,0|1,0,2]=4 1135 B10R1.405 C#CC1(CC1)C(=O)NCC 240690a_100015525214_100000139144 [0,0,0,1,0,0|1,0,2]=4 1136 B10R1.405 C#CC1(CC1)C(=O)NCC 527a_100015525214_100000139144 [0,0,0,1,0,0|1,0,2]=4 1137 B10R1.405 CCCC(=O)C1(CC1)C#N 1458a_100000211992_100009889376 [0,0,0,1,0,0|2,0,1]=4 1138 B10R1.405 CCCC(=O)C1(CC1)C#N 1458a_100000691320_100000210303 [0,0,0,1,0,0|2,0,1]=4 1139 B10R1.405 CCCC(=O)C1(CC1)CO 1458a_100012027107_100000210303 [0,0,0,1,0,0|2,0,0]=3 1140 B10R1.405 CCCC(=O)C1(CC1)OC 1458a_100000137688_100000210303 [0,0,0,1,0,0|2,0,0]=3 1141 B10R1.405 CCNC(=O)C1(CC1)C#N 11a_100015525214_100000691320 [0,0,0,1,0,0|2,0,1]=4 1142 B10R1.405 CCNC(=O)C1(CC1)C#N 240690a_100015525214_100000691320 [0,0,0,1,0,0|2,0,1]=4 1143 B10R1.405 CCNC(=O)C1(CC1)CO 240690a_100015525214_100012027107 [0,0,0,1,0,0|2,0,0]=3 1144 B10R1.405 CCNC(=O)C1(CC1)OC 11a_100015525214_100000137688 [0,0,0,1,0,0|2,0,0]=3 1145 B10R1.405 CCNC(=O)C1(CC1)OC 240690a_100015525214_100000137688 [0,0,0,1,0,0|2,0,0]=3 1146 B10R1.405 CCNC(=O)C1(CC1)OC 527a_100015525214_100000137688 [0,0,0,1,0,0|2,0,0]=3 1147 B10R1.405 CCOC(=O)C1(CC1)NC 34a_100102657272_100009861064 [0,0,0,1,0,0|1,0,0]=2 1148 B10R1.405 CCOC(=O)C1(CC1)NC 7a_106832991635_100009861064 [0,0,0,1,0,0|1,0,0]=2 1149 B10R1.405 CCOC(=O)C1(CC1)OC 34a_100138415774_100009861064 [0,0,0,1,0,0|1,0,0]=2 1150 B10R1.405 CCOC(=O)C1(CC1)OC 7a_200011934196_200000210301 [0,0,0,1,0,0|1,0,0]=2 1151 B10R1.405 CCOC(=O)C1(CC1)O[13CH3] 7a_200011934196_200025704644 [0,0,0,1,0,0|1,0,0]=2 1152 B10R1.405 CCOC(=O)C1(CC1)SC 62a_100009861064_200000210301 [0,0,0,1,0,0|1,0,0]=2 1153 B10R1.405 CCOC(=O)C1(CC1)SC 62a_200000210301_100009861064 [0,0,0,1,0,0|1,0,0]=2 1154 B10R1.405 CCOC(=O)C1(CC1)S[13CH3] 62a_100009861064_200025704644 [0,0,0,1,0,0|1,0,0]=2 1155 B10R1.405 CCOC(=O)C1(CC1)S[13CH3] 62a_200025704644_100009861064 [0,0,0,1,0,0|1,0,0]=2 1156 B10R1.405 CNNC(=O)C1(CC1)CO 22a_100016993582_100012027107 [0,0,0,1,0,0|3,0,0]=4 1157 B10R1.405 CNNC(=O)C1(CC1)OC 22a_100016993582_100000137688 [0,0,0,1,0,0|3,0,0]=4 1158 B10R1.405 COC1(CC1)C(=O)CCF 1458a_100000137688_100011217306 [0,0,0,1,0,0|3,0,0]=4 1159 B10R1.405 COC1(CC1)C(=O)CCO 1458a_100000137688_100000211926 [0,0,0,1,0,0|3,0,0]=4 1160 B10R1.405 O=C(CCF)C1(CC1)CO 1458a_100012027107_100011217306 [0,0,0,1,0,0|3,0,0]=4 1161 B10R1.405 O=C(CCO)C1(CC1)CO 1458a_100012027107_100000211926 [0,0,0,1,0,0|3,0,0]=4 1162 B10R0.34 C#CCC(=O)CC(CC)CC 1458a_100011220946_100011215472 [0,0,0,0,0,1|1,0,2]=4 1163 B10R0.34 C#CCC(=O)NC(CC)CC 1626a_100000199018_100011220946 [0,0,0,0,0,1|1,0,2]=4 1164 B10R0.34 C#CCC(=O)NC(CC)CC 527a_100000199018_100011220946 [0,0,0,0,0,1|1,0,2]=4 1165 B10R0.34 C=CCC(=O)CC(CC)CC 1458a_100000210193_100011215472 [0,0,0,0,0,1|1,0,2]=4 1166 B10R0.34 C=CCC(=O)NC(CC)CC 11a_100000199018_100000210193 [0,0,0,0,0,1|1,0,2]=4 1167 B10R0.34 C=CCC(=O)NC(CC)CC 1626a_100000199018_100000210193 [0,0,0,0,0,1|1,0,2]=4 1168 B10R0.34 C=CCC(=O)NC(CC)CC 240690a_100000199018_100000210193 [0,0,0,0,0,1|1,0,2]=4 1169 B10R0.34 C=CCC(=O)NC(CC)CC 527a_100000199018_100000210193 [0,0,0,0,0,1|1,0,2]=4 1170 B10R0.34 C=COC(=O)CN(CC)CC 2230a_100000724800_100000036128 [0,0,0,0,0,1|1,0,2]=4 1171 B10R0.34 C=COC(=O)CN(CC)CC 269956a_100000042499_100000036128 [0,0,0,0,0,1|1,0,2]=4 1172 B10R0.34 C=COC(=O)CN(CC)CC 269982a_100000724800_100000036128 [0,0,0,0,0,1|1,0,2]=4 1173 B10R0.34 CC#CC(=O)CC(CC)CC 1458a_100000763181_100011215472 [0,0,0,0,0,1|1,0,1]=3 1174 B10R0.34 CC=CC(=O)CC(CC)CC 1458a_100000210699_100011215472 [0,0,0,0,0,1|1,0,1]=3 1175 B10R0.34 CC=CC(=O)NC(CC)CC 11a_100000199018_100000210699 [0,0,0,0,0,1|1,0,1]=3 1176 B10R0.34 CC=CC(=O)NC(CC)CC 1626a_100000199018_100000210699 [0,0,0,0,0,1|1,0,1]=3 1177 B10R0.34 CC=CC(=O)NC(CC)CC 240690a_100000199018_100000210699 [0,0,0,0,0,1|1,0,1]=3 1178 B10R0.34 CC=CC(=O)N[C@@H](CC)CO 240690a_100000709445_100000210699 [0,0,0,0,0,1|2,0,1]=4 1179 B10R0.34 CCC(CC)CC(=O)C=CBr 1458a_100016273825_100011215472 [0,0,0,0,0,1|2,0,1]=4 1180 B10R0.34 CCC(CC)CC(=O)C=CCl 1458a_200016279998_100011215472 [0,0,0,0,0,1|2,0,1]=4 1181 B10R0.34 CCC(CC)CC(=O)C=CI 1458a_100016256311_100011215472 [0,0,0,0,0,1|2,0,1]=4 1182 B10R0.34 CCC(CC)CC(=O)CC#N 1458a_100051588842_100011215472 [0,0,0,0,0,1|2,0,1]=4 1183 B10R0.34 CCC(CC)CC(=O)CCO 1458a_100011216618_100011215472 [0,0,0,0,0,1|2,0,0]=3 1184 B10R0.34 CCC(CC)CC(=O)COC 1458a_100000210968_100011215472 [0,0,0,0,0,1|2,0,0]=3 1185 B10R0.34 CCC(CC)CC(=O)CSC 1458a_100000184570_100011215472 [0,0,0,0,0,1|2,0,0]=3 1186 B10R0.34 CCC(CC)NC(=O)C=CBr 1626a_100000199018_100016273825 [0,0,0,0,0,1|2,0,1]=4 1187 B10R0.34 CCC(CC)NC(=O)C=CBr 240690a_100000199018_100016273825 [0,0,0,0,0,1|2,0,1]=4 1188 B10R0.34 CCC(CC)NC(=O)C=CCl 11a_100000199018_200016279998 [0,0,0,0,0,1|2,0,1]=4 1189 B10R0.34 CCC(CC)NC(=O)C=CCl 1626a_100000199018_200016279998 [0,0,0,0,0,1|2,0,1]=4 1190 B10R0.34 CCC(CC)NC(=O)C=CCl 240690a_100000199018_200016279998 [0,0,0,0,0,1|2,0,1]=4 1191 B10R0.34 CCC(CC)NC(=O)C=CI 1626a_100000199018_100016256311 [0,0,0,0,0,1|2,0,1]=4 1192 B10R0.34 CCC(CC)NC(=O)CC#N 1626a_100000199018_100051588842 [0,0,0,0,0,1|2,0,1]=4 1193 B10R0.34 CCC(CC)NC(=O)CC#N 240690a_100000199018_100051588842 [0,0,0,0,0,1|2,0,1]=4 1194 B10R0.34 CCC(CC)NC(=O)CCO 240690a_100000199018_100011216618 [0,0,0,0,0,1|2,0,0]=3 1195 B10R0.34 CCC(CC)NC(=O)COC 11a_100000199018_100000210968 [0,0,0,0,0,1|2,0,0]=3 1196 B10R0.34 CCC(CC)NC(=O)COC 1626a_100000199018_100000210968 [0,0,0,0,0,1|2,0,0]=3 1197 B10R0.34 CCC(CC)NC(=O)COC 240690a_100000199018_100000210968 [0,0,0,0,0,1|2,0,0]=3 1198 B10R0.34 CCC(CC)NC(=O)COC 527a_100000199018_100000210968 [0,0,0,0,0,1|2,0,0]=3 1199 B10R0.34 CCC(CC)NC(=O)CSC 11a_100000199018_100000184570 [0,0,0,0,0,1|2,0,0]=3 1200 B10R0.34 CCC(CC)NC(=O)CSC 1626a_100000199018_100000184570 [0,0,0,0,0,1|2,0,0]=3 1201 B10R0.34 CCC(CC)NC(=O)CSC 240690a_100000199018_100000184570 [0,0,0,0,0,1|2,0,0]=3 1202 B10R0.34 CCC(CC)NC(=O)CSC 527a_100000199018_100000184570 [0,0,0,0,0,1|2,0,0]=3 1203 B10R0.34 CCC(CC)NC(=O)NNC 273464a_100000199018_100016993582 [0,0,0,0,0,1|2,0,0]=3 1204 B10R0.34 CCC(CC)NC(=O)NNC 512a_100000199018_100016993582 [0,0,0,0,0,1|2,0,0]=3 1205 B10R0.34 CCC(CC)NC(=O)NNC 512a_100016993582_100000199018 [0,0,0,0,0,1|2,0,0]=3 1206 B10R0.34 CCCC(=O)CC(CC)CC 1458a_100000211992_100011215472 [0,0,0,0,0,1|1,0,0]=2 1207 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000082724_100000210303 [0,0,0,0,0,1|3,0,0]=4 1208 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000211992_100000751394 [0,0,0,0,0,1|3,0,0]=4 1209 B10R0.34 CCCC(=O)CN(CC)CC 1458a_100000758533_100000210303 [0,0,0,0,0,1|2,0,0]=3 1210 B10R0.34 CCCC(=O)CN(CC)CC 2230a_100000724800_100000747444 [0,0,0,0,0,1|2,0,0]=3 1211 B10R0.34 CCCC(=O)CN(CC)CC 269956a_100000042499_100000747444 [0,0,0,0,0,1|2,0,0]=3 1212 B10R0.34 CCCC(=O)CN(CC)CC 269982a_100000724800_100000747444 [0,0,0,0,0,1|2,0,0]=3 1213 B10R0.34 CCCC(=O)NC(CC)CC 11a_100000199018_100000211992 [0,0,0,0,0,1|1,0,0]=2 1214 B10R0.34 CCCC(=O)NC(CC)CC 1626a_100000199018_100000211992 [0,0,0,0,0,1|1,0,0]=2 1215 B10R0.34 CCCC(=O)NC(CC)CC 240690a_100000199018_100000211992 [0,0,0,0,0,1|1,0,0]=2 1216 B10R0.34 CCCC(=O)NC(CC)CC 527a_100000199018_100000211992 [0,0,0,0,0,1|1,0,0]=2 1217 B10R0.34 CCCC(=O)NC(CO)CO 240690a_100000759517_100000211992 [0,0,0,0,0,1|3,0,0]=4 1218 B10R0.34 CCCC(=O)NC(CO)CO 527a_100000759517_100000211992 [0,0,0,0,0,1|3,0,0]=4 1219 B10R0.34 CCCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000211992 [0,0,0,0,0,1|2,0,0]=3 1220 B10R0.34 CCCC(=O)N[C@@H](CC)CO 527a_100000709445_100000211992 [0,0,0,0,0,1|2,0,0]=3 1221 B10R0.34 CCCC(C)NC(CC)CC 2230a_100000199018_100000766640 [0,0,0,0,0,1|2,0,1]=4 1222 B10R0.34 CCCC(C)NC(CC)CC 270004a_100000199018_100000211909 [0,0,0,0,0,1|2,0,1]=4 1223 B10R0.34 CCCC(C)NC(CC)CC 270004a_100000741246_100000210860 [0,0,0,0,0,1|2,0,1]=4 1224 B10R0.34 CCCC(C)OC(CC)CC 7a_100000688536_100000766640 [0,0,0,0,0,1|2,0,1]=4 1225 B10R0.34 CCCC(C)OC(CC)CC 7a_100000764384_100000210505 [0,0,0,0,0,1|2,0,1]=4 1226 B10R0.34 CCCC(C)SC(CC)CC 62a_100000210505_100000766640 [0,0,0,0,0,1|2,0,1]=4 1227 B10R0.34 CCCC(C)SC(CC)CC 62a_100000766640_100000210505 [0,0,0,0,0,1|2,0,1]=4 1228 B10R0.34 CCCN(C)CC(CC)CC 2230a_100000747261_100011215472 [0,0,0,0,0,1|3,0,0]=4 1229 B10R0.34 CCCN(C)CC(CC)CC 269982a_100000747261_100011215472 [0,0,0,0,0,1|3,0,0]=4 1230 B10R0.34 CCCN(C)CC(CC)CC 270004a_100000747261_100000211137 [0,0,0,0,0,1|3,0,0]=4 1231 B10R0.34 CCN(CC)CC(=O)CCF 1458a_100000758533_100011217306 [0,0,0,0,0,1|3,0,0]=4 1232 B10R0.34 CCN(CC)CC(=O)CCO 1458a_100000758533_100000211926 [0,0,0,0,0,1|3,0,0]=4 1233 B10R0.34 CCN(CC)CC(=O)NCO 2230a_100000724800_100000185155 [0,0,0,0,0,1|3,0,0]=4 1234 B10R0.34 CCN(CC)CC(=O)NCO 269956a_100000042499_100000185155 [0,0,0,0,0,1|3,0,0]=4 1235 B10R0.34 CCN(CC)CC(=O)NCO 269982a_100000724800_100000185155 [0,0,0,0,0,1|3,0,0]=4 1236 B10R0.34 CCN(CC)CC(=O)NNC 22a_100016993582_100000758533 [0,0,0,0,0,1|3,0,0]=4 1237 B10R0.34 CCNC(=O)CC(OC)OC 11a_100015525214_100000082724 [0,0,0,0,0,1|3,0,0]=4 1238 B10R0.34 CCNC(=O)CC(OC)OC 240690a_100015525214_100000082724 [0,0,0,0,0,1|3,0,0]=4 1239 B10R0.34 CCNC(=O)CC(OC)OC 527a_100015525214_100000082724 [0,0,0,0,0,1|3,0,0]=4 1240 B10R0.34 CCNC(=O)CN(CC)CC 11a_100015525214_100000758533 [0,0,0,0,0,1|2,0,0]=3 1241 B10R0.34 CCNC(=O)CN(CC)CC 2230a_100000724800_100000183381 [0,0,0,0,0,1|2,0,0]=3 1242 B10R0.34 CCNC(=O)CN(CC)CC 240690a_100015525214_100000758533 [0,0,0,0,0,1|2,0,0]=3 1243 B10R0.34 CCNC(=O)CN(CC)CC 269956a_100000042499_100000183381 [0,0,0,0,0,1|2,0,0]=3 1244 B10R0.34 CCNC(=O)CN(CC)CC 269982a_100000724800_100000183381 [0,0,0,0,0,1|2,0,0]=3 1245 B10R0.34 CCNC(=O)CN(CC)CC 527a_100015525214_100000758533 [0,0,0,0,0,1|2,0,0]=3 1246 B10R0.34 CCNC(=O)NC(CC)CC 2708a_100000199018_100015525214 [0,0,0,0,0,1|1,0,0]=2 1247 B10R0.34 CCNC(=O)NC(CC)CC 2708a_100015525214_100000199018 [0,0,0,0,0,1|1,0,0]=2 1248 B10R0.34 CCNC(=O)NC(CC)CC 273464a_100000199018_100015525214 [0,0,0,0,0,1|1,0,0]=2 1249 B10R0.34 CCNC(=O)NC(CC)CC 273464a_100015525214_100000199018 [0,0,0,0,0,1|1,0,0]=2 1250 B10R0.34 CCNC(=O)NC(CC)CC 512a_100000199018_100015525214 [0,0,0,0,0,1|1,0,0]=2 1251 B10R0.34 CCNC(=O)NC(CC)CC 512a_100015525214_100000199018 [0,0,0,0,0,1|1,0,0]=2 1252 B10R0.34 CCNC(=O)NC(CO)CO 2708a_100015525214_100000759517 [0,0,0,0,0,1|3,0,0]=4 1253 B10R0.34 CCNC(=O)NC(CO)CO 273464a_100000759517_100015525214 [0,0,0,0,0,1|3,0,0]=4 1254 B10R0.34 CCNC(=O)NC(CO)CO 273464a_100015525214_100000759517 [0,0,0,0,0,1|3,0,0]=4 1255 B10R0.34 CCNC(=O)NC(CO)CO 512a_100015525214_100000759517 [0,0,0,0,0,1|3,0,0]=4 1256 B10R0.34 CCNC(=O)N[C@@H](CC)CO 2708a_100015525214_100000709445 [0,0,0,0,0,1|2,0,0]=3 1257 B10R0.34 CCNC(=O)N[C@@H](CC)CO 273464a_100000709445_100015525214 [0,0,0,0,0,1|2,0,0]=3 1258 B10R0.34 CCNC(=O)N[C@@H](CC)CO 273464a_100015525214_100000709445 [0,0,0,0,0,1|2,0,0]=3 1259 B10R0.34 CCNC(=O)N[C@@H](CC)CO 512a_100000709445_100015525214 [0,0,0,0,0,1|2,0,0]=3 1260 B10R0.34 CCNC(=O)N[C@@H](CC)CO 512a_100015525214_100000709445 [0,0,0,0,0,1|2,0,0]=3 1261 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000220607_100000210202 [0,0,0,0,0,1|1,0,0]=2 1262 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000724800_100000188475 [0,0,0,0,0,1|1,0,0]=2 1263 B10R0.34 CCOC(=O)CN(CC)CC 269956a_100000042499_100000188475 [0,0,0,0,0,1|1,0,0]=2 1264 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000220607_100000204670 [0,0,0,0,0,1|1,0,0]=2 1265 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000724800_100000188475 [0,0,0,0,0,1|1,0,0]=2 1266 B10R0.34 CCOC(=O)CN(CC)CF 269982a_100000220607_100015361967 [0,0,0,0,0,1|2,0,0]=3 1267 B10R0.34 CCOC(=O)C[C@@H](CCl)OC 7a_100000688340_200000210301 [0,0,0,0,0,1|2,0,0]=3 1268 B10R0.34 CCOC(=O)C[C@@H](CCl)O[13CH3] 7a_100000688340_200025704644 [0,0,0,0,0,1|2,0,0]=3 1269 B10R0.34 CC[C@@H](CO)NC(=O)CCO 240690a_100000709445_100011216618 [0,0,0,0,0,1|3,0,0]=4 1270 B10R0.34 CC[C@@H](CO)NC(=O)COC 240690a_100000709445_100000210968 [0,0,0,0,0,1|3,0,0]=4 1271 B10R0.34 CC[C@@H](CO)NC(=O)COC 527a_100000709445_100000210968 [0,0,0,0,0,1|3,0,0]=4 1272 B10R0.34 CC[C@@H](CO)NC(=O)CSC 240690a_100000709445_100000184570 [0,0,0,0,0,1|3,0,0]=4 1273 B10R0.34 CC[C@@H](CO)NC(=O)CSC 527a_100000709445_100000184570 [0,0,0,0,0,1|3,0,0]=4 1274 B10R0.34 CC[C@@H](CO)NC(=O)NNC 273464a_100000709445_100016993582 [0,0,0,0,0,1|3,0,0]=4 1275 B10R0.34 CC[C@@H](CO)NC(=O)NNC 512a_100000709445_100016993582 [0,0,0,0,0,1|3,0,0]=4 1276 B10R0.34 CC[C@@H](CO)NC(=O)NNC 512a_100016993582_100000709445 [0,0,0,0,0,1|3,0,0]=4 1277 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [2,0,0,0,0,0|2,0,0]=4 1278 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [2,0,0,0,0,0|2,0,0]=4 1279 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [2,0,0,0,0,0|2,0,0]=4 1280 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [2,0,0,0,0,0|2,0,0]=4 1281 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [2,0,0,0,0,0|2,0,0]=4 1282 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [2,0,0,0,0,0|1,0,1]=4 1283 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [2,0,0,0,0,0|1,0,1]=4 1284 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [2,0,0,0,0,0|1,0,1]=4 1285 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [2,0,0,0,0,0|1,0,1]=4 1286 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [2,0,0,0,0,0|0,0,1]=3 1287 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [2,0,0,0,0,0|1,0,1]=4 1288 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [2,0,0,0,0,0|1,0,1]=4 1289 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [2,0,0,0,0,0|1,0,1]=4 1290 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [2,0,0,0,0,0|1,0,1]=4 1291 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [2,0,0,0,0,0|1,0,1]=4 1292 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [2,0,0,0,0,0|1,0,1]=4 1293 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [2,0,0,0,0,0|1,0,1]=4 1294 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [2,0,0,0,0,0|1,0,1]=4 1295 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [2,0,0,0,0,0|0,0,1]=3 1296 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [2,0,0,0,0,0|0,0,1]=3 1297 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [2,0,0,0,0,0|1,0,1]=4 1298 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [2,0,0,0,0,0|0,1,1]=4 1299 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [2,0,0,0,0,0|0,1,1]=4 1300 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [2,0,0,0,0,0|0,1,1]=4 1301 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [2,0,0,0,0,0|0,1,1]=4 1302 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [2,0,0,0,0,0|1,0,1]=4 1303 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [2,0,0,0,0,0|1,0,1]=4 1304 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [2,0,0,0,0,0|2,0,0]=4 1305 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [2,0,0,0,0,0|2,0,0]=4 1306 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [2,0,0,0,0,0|2,0,0]=4 1307 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [2,0,0,0,0,0|2,0,0]=4 1308 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [2,0,0,0,0,0|2,0,0]=4 1309 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [2,0,0,0,0,0|1,0,1]=4 1310 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [2,0,0,0,0,0|1,0,0]=3 1311 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [2,0,0,0,0,0|1,0,0]=3 1312 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [2,0,0,0,0,0|2,0,0]=4 1313 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 1314 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 1315 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 1316 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 1317 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [2,0,0,0,0,0|2,0,0]=4 1318 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [2,0,0,0,0,0|2,0,0]=4 1319 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [2,0,0,0,0,0|1,0,0]=3 1320 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [2,0,0,0,0,0|1,0,0]=3 1321 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [2,0,0,0,0,0|1,0,0]=3 1322 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [2,0,0,0,0,0|2,0,0]=4 1323 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [2,0,0,0,0,0|2,0,0]=4 1324 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [2,0,0,0,0,0|2,0,0]=4 1325 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [2,0,0,0,0,0|2,0,0]=4 1326 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [2,0,0,0,0,0|2,0,0]=4 1327 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [2,0,0,0,0,0|2,0,0]=4 1328 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [2,0,0,0,0,0|1,0,1]=4 1329 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [2,0,0,0,0,0|2,0,0]=4 1330 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [2,0,0,0,0,0|2,0,0]=4 1331 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [2,0,0,0,0,0|2,0,0]=4 1332 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [2,0,0,0,0,0|2,0,0]=4 1333 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [2,0,0,0,0,0|2,0,0]=4 1334 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [2,0,0,0,0,0|2,0,0]=4 1335 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [2,0,0,0,0,0|2,0,0]=4 1336 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [2,0,0,0,0,0|2,0,0]=4 1337 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [2,0,0,0,0,0|2,0,0]=4 1338 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [2,0,0,0,0,0|1,0,1]=4 1339 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [2,0,0,0,0,0|1,0,1]=4 1340 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [2,0,0,0,0,0|1,0,0]=3 1341 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [2,0,0,0,0,0|2,0,0]=4 1342 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [2,0,0,0,0,0|2,0,0]=4 1343 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [2,0,0,0,0,0|2,0,0]=4 1344 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 1345 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 1346 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [2,0,0,0,0,0|2,0,0]=4 1347 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [2,0,0,0,0,0|2,0,0]=4 1348 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [2,0,0,0,0,0|2,0,0]=4 1349 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [2,0,0,0,0,0|2,0,0]=4 1350 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [2,0,0,0,0,0|2,0,0]=4 1351 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [2,0,0,0,0,0|2,0,0]=4 1352 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 1353 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 1354 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 1355 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [2,0,0,0,0,0|2,0,0]=4 1356 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 1357 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [2,0,0,0,0,0|1,0,1]=4 1358 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 1359 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [2,0,0,0,0,0|2,0,0]=4 1360 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [2,0,0,0,0,0|2,0,0]=4 1361 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 1362 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [2,0,0,0,0,0|2,0,0]=4 1363 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 1364 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [2,0,0,0,0,0|2,0,0]=4 1365 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 1366 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 1367 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [2,0,0,0,0,0|2,0,0]=4 1368 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 1369 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 1370 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 1371 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 1372 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [2,0,0,0,0,0|2,0,0]=4 1373 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [2,0,0,0,0,0|2,0,0]=4 1374 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [2,0,0,0,0,0|2,0,0]=4 1375 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [2,0,0,0,0,0|2,0,0]=4 1376 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 1377 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 1378 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 1379 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 1380 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [2,0,0,0,0,0|1,0,0]=3 1381 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 1382 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [2,0,0,0,0,0|1,0,0]=3 1383 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [2,0,0,0,0,0|1,0,0]=3 1384 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [2,0,0,0,0,0|1,0,0]=3 1385 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [2,0,0,0,0,0|1,0,0]=3 1386 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [2,0,0,0,0,0|1,0,0]=3 1387 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [2,0,0,0,0,0|0,0,2]=4 1388 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [2,0,0,0,0,0|0,0,2]=4 1389 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [2,0,0,0,0,0|0,0,2]=4 1390 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [2,0,0,0,0,0|0,0,2]=4 1391 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [2,0,0,0,0,0|0,0,2]=4 1392 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [2,0,0,0,0,0|1,0,1]=4 1393 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [2,0,0,0,0,0|1,0,1]=4 1394 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [2,0,0,0,0,0|0,0,0]=2 1395 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [2,0,0,0,0,0|0,0,0]=2 1396 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [2,0,0,0,0,0|1,0,0]=3 1397 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [2,0,0,0,0,0|1,0,0]=3 1398 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [2,0,0,0,0,0|1,0,0]=3 1399 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [2,0,0,0,0,0|1,0,0]=3 1400 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [2,0,0,0,0,0|1,0,0]=3 1401 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [2,0,0,0,0,0|1,0,0]=3 1402 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [2,0,0,0,0,0|1,0,0]=3 1403 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [2,0,0,0,0,0|1,0,0]=3 1404 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [2,0,0,0,0,0|1,0,0]=3 1405 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [2,0,0,0,0,0|2,0,0]=4 1406 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [2,0,0,0,0,0|1,0,0]=3 1407 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [2,0,0,0,0,0|1,0,0]=3 1408 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [2,0,0,0,0,0|1,0,0]=3 1409 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [2,0,0,0,0,0|1,0,0]=3 1410 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [2,0,0,0,0,0|1,0,0]=3 1411 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [2,0,0,0,0,0|1,0,0]=3 1412 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [2,0,0,0,0,0|1,0,0]=3 1413 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [2,0,0,0,0,0|1,0,0]=3 1414 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [2,0,0,0,0,0|1,0,0]=3 1415 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [2,0,0,0,0,0|1,0,0]=3 1416 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [2,0,0,0,0,0|1,0,1]=4 1417 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [2,0,0,0,0,0|1,0,1]=4 1418 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [2,0,0,0,0,0|2,0,0]=4 1419 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [2,0,0,0,0,0|2,0,0]=4 1420 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [2,0,0,0,0,0|2,0,0]=4 1421 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [2,0,0,0,0,0|2,0,0]=4 1422 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [2,0,0,0,0,0|2,0,0]=4 1423 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [2,0,0,0,0,0|2,0,0]=4 1424 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [2,0,0,0,0,0|2,0,0]=4 1425 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [2,0,0,0,0,0|2,0,0]=4 1426 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [2,0,0,0,0,0|2,0,0]=4 1427 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [2,0,0,0,0,0|2,0,0]=4 1428 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [2,0,0,0,0,0|2,0,0]=4 1429 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [2,0,0,0,0,0|2,0,0]=4 1430 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [2,0,0,0,0,0|2,0,0]=4 1431 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [2,0,0,0,0,0|2,0,0]=4 1432 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [2,0,0,0,0,0|2,0,0]=4 1433 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [2,0,0,0,0,0|2,0,0]=4 1434 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [2,0,0,0,0,0|2,0,0]=4 1435 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [2,0,0,0,0,0|2,0,0]=4 1436 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [2,0,0,0,0,0|2,0,0]=4 1437 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [2,0,0,0,0,0|2,0,0]=4 1438 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [2,0,0,0,0,0|2,0,0]=4 1439 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [2,0,0,0,0,0|2,0,0]=4 1440 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [2,0,0,0,0,0|2,0,0]=4 1441 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [2,0,0,0,0,0|2,0,0]=4 1442 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [2,0,0,0,0,0|2,0,0]=4 1443 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [2,0,0,0,0,0|2,0,0]=4 1444 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [2,0,0,0,0,0|2,0,0]=4 1445 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [2,0,0,0,0,0|2,0,0]=4 1446 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [2,0,0,0,0,0|2,0,0]=4 1447 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [2,0,0,0,0,0|2,0,0]=4 1448 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [2,0,0,0,0,0|2,0,0]=4 1449 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [2,0,0,0,0,0|2,0,0]=4 1450 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [2,0,0,0,0,0|2,0,0]=4 1451 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [2,0,0,0,0,0|2,0,0]=4 1452 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [2,0,0,0,0,0|1,0,0]=3 1453 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [2,0,0,0,0,0|1,0,0]=3 1454 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [2,0,0,0,0,0|1,0,0]=3 1455 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [2,0,0,0,0,0|1,0,0]=3 1456 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [2,0,0,0,0,0|1,0,0]=3 1457 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [2,0,0,0,0,0|1,0,0]=3 1458 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [2,0,0,0,0,0|1,0,0]=3 1459 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [2,0,0,0,0,0|1,0,0]=3 1460 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [2,0,0,0,0,0|1,0,0]=3 1461 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [2,0,0,0,0,0|1,0,0]=3 1462 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [2,0,0,0,0,0|2,0,0]=4 1463 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [2,0,0,0,0,0|2,0,0]=4 1464 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [2,0,0,0,0,0|0,0,2]=4 1465 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [2,0,0,0,0,0|0,0,2]=4 1466 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [2,0,0,0,0,0|0,0,2]=4 1467 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [2,0,0,0,0,0|0,0,2]=4 1468 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [2,0,0,0,0,0|1,0,1]=4 1469 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [2,0,0,0,0,0|1,0,1]=4 1470 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [2,0,0,0,0,0|1,0,1]=4 1471 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [2,0,0,0,0,0|1,0,1]=4 1472 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [2,0,0,0,0,0|1,0,1]=4 1473 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [2,0,0,0,0,0|1,0,1]=4 1474 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [2,0,0,0,0,0|1,0,1]=4 1475 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [2,0,0,0,0,0|0,0,1]=3 1476 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [2,0,0,0,0,0|0,0,1]=3 1477 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [2,0,0,0,0,0|0,0,1]=3 1478 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [2,0,0,0,0,0|0,1,1]=4 1479 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [2,0,0,0,0,0|0,1,1]=4 1480 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [2,0,0,0,0,0|0,1,1]=4 1481 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [2,0,0,0,0,0|0,1,1]=4 1482 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [2,0,0,0,0,0|1,0,0]=3 1483 B7R0.12 CCC(CC)SCF 62a_100000210505_100015361967 [2,0,0,0,0,0|1,1,0]=4 1484 B7R0.12 CCC(CC)SCF 62a_100015361967_100000210505 [2,0,0,0,0,0|1,1,0]=4 1485 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [2,0,0,0,0,0|1,0,1]=4 1486 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [2,0,0,0,0,0|1,0,1]=4 1487 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [2,0,0,0,0,0|1,0,1]=4 1488 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [2,0,0,0,0,0|1,0,1]=4 1489 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [2,0,0,0,0,0|1,0,1]=4 1490 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [2,0,0,0,0,0|1,0,1]=4 1491 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [2,0,0,0,0,0|1,0,1]=4 1492 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [2,0,0,0,0,0|1,0,1]=4 1493 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [2,0,0,0,0,0|1,0,1]=4 1494 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [2,0,0,0,0,0|1,0,1]=4 1495 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [2,0,0,0,0,0|1,0,1]=4 1496 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [2,0,0,0,0,0|1,0,1]=4 1497 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [2,0,0,0,0,0|1,0,1]=4 1498 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [2,0,0,0,0,0|1,0,1]=4 1499 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [2,0,0,0,0,0|1,0,1]=4 1500 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [2,0,0,0,0,0|1,0,1]=4 1501 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [2,0,0,0,0,0|1,0,1]=4 1502 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [2,0,0,0,0,0|1,0,1]=4 1503 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [2,0,0,0,0,0|1,0,1]=4 1504 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [2,0,0,0,0,0|1,0,1]=4 1505 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [2,0,0,0,0,0|1,0,1]=4 1506 B7R0.12 CCCN(CC)CC 2230a_100000226822_100000210202 [2,0,0,0,0,0|1,0,1]=4 1507 B7R0.12 CCCN(CC)CC 2230a_100000724800_100000210303 [2,0,0,0,0,0|1,0,1]=4 1508 B7R0.12 CCCN(CC)CC 269956a_100000042499_100000210207 [2,0,0,0,0,0|1,0,1]=4 1509 B7R0.12 CCCN(CC)CC 269982a_100000226822_100000204670 [2,0,0,0,0,0|1,0,1]=4 1510 B7R0.12 CCCN(CC)CC 269982a_100000724800_100000210303 [2,0,0,0,0,0|1,0,1]=4 1511 B7R0.12 CCN(CC)COC 2230a_100000724800_100000766300 [2,0,0,0,0,0|1,0,1]=4 1512 B7R0.12 CCN(CC)COC 269956a_100000042499_100000766300 [2,0,0,0,0,0|1,0,1]=4 1513 B7R0.12 CCN(CC)COC 269982a_100000724800_100000766300 [2,0,0,0,0,0|1,0,1]=4 1514 B7R0.12 CCN(CC)COC 7a_200015374951_200000210301 [2,0,0,0,0,0|1,0,1]=4 1515 B7R0.12 CCN(CC)CO[13CH3] 7a_200015374951_200025704644 [2,0,0,0,0,0|1,0,1]=4 1516 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [2,0,0,0,0,0|1,0,0]=3 1517 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [2,0,0,0,0,0|1,0,0]=3 1518 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [2,0,0,0,0,0|2,0,0]=4 1519 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [2,0,0,0,0,0|0,0,0]=2 1520 B7R0.12 CCOC(CCl)CCl 7a_100000737055_100000210202 [2,0,0,0,0,0|2,0,0]=4 1521 B7R0.12 CCOC(CF)CF 34a_100000032261_100000210202 [2,0,0,0,0,0|2,0,0]=4 1522 B7R0.12 CCOC(CF)CF 7a_100000032261_100000210202 [2,0,0,0,0,0|2,0,0]=4 1523 B7R0.12 CCOC(CN)CN 34a_100000031598_100000210202 [2,0,0,0,0,0|2,0,0]=4 1524 B7R0.12 CCO[C@@H](CF)CCl 34a_100015614560_100000210202 [2,0,0,0,0,0|2,0,0]=4 1525 B7R0.12 CCO[C@@H](CF)CCl 7a_100015614560_100000210202 [2,0,0,0,0,0|2,0,0]=4 1526 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [2,0,0,0,0,0|0,1,0]=3 1527 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [2,0,0,0,0,0|0,1,0]=3 1528 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [2,0,0,0,0,0|0,0,0]=2 1529 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [2,0,0,0,0,0|0,0,0]=2 1530 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [2,0,0,0,0,0|0,0,0]=2 1531 B7R0.15 CCC(CC)N(C)C 2230a_100000737045_200000210301 [2,0,0,0,0,0|2,0,0]=4 1532 B7R0.15 CCC(CC)N(C)C 269982a_100000737045_200000210301 [2,0,0,0,0,0|2,0,0]=4 1533 B7R0.15 CCC(CC)N(C)C 269982a_100102631434_100000210505 [2,0,0,0,0,0|2,0,0]=4 1534 B7R0.15 CCC(CC)N(C)C 270004a_100102631434_100000210860 [2,0,0,0,0,0|2,0,0]=4 1535 B7R0.15 CCC(CC)N(C)[13CH3] 2230a_100000737045_200025704644 [2,0,0,0,0,0|2,0,0]=4 1536 B7R0.15 CCC(CC)N(C)[13CH3] 269982a_100000737045_200025704644 [2,0,0,0,0,0|2,0,0]=4 1537 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [2,0,0,0,0,0|2,0,0]=4 1538 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [2,0,0,0,0,0|2,0,0]=4 1539 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [2,0,0,0,0,0|2,0,0]=4 1540 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [2,0,0,0,0,0|2,0,0]=4 1541 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [2,0,0,0,0,0|2,0,0]=4 1542 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [2,0,0,0,0,0|2,0,0]=4 1543 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [2,0,0,0,0,0|2,0,0]=4 1544 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [2,0,0,0,0,0|1,0,0]=3 1545 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [2,0,0,0,0,0|2,0,0]=4 1546 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [2,0,0,0,0,0|1,0,0]=3 1547 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [2,0,0,0,0,0|2,0,0]=4 1548 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [2,0,0,0,0,0|2,0,0]=4 1549 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [2,0,0,0,0,0|2,0,0]=4 1550 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [2,0,0,0,0,0|2,0,0]=4 1551 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [2,0,0,0,0,0|1,0,0]=3 1552 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [2,0,0,0,0,0|1,0,0]=3 1553 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [2,0,0,0,0,0|1,0,0]=3 1554 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [2,0,0,0,0,0|1,0,0]=3 1555 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [2,0,0,0,0,0|1,0,0]=3 1556 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [2,0,0,0,0,0|1,0,0]=3 1557 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [2,0,0,0,0,0|2,0,0]=4 1558 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [2,0,0,0,0,0|2,0,0]=4 1559 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [2,0,0,0,0,0|2,0,0]=4 1560 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [2,0,0,0,0,0|2,0,0]=4 1561 B9R0.6 CC(C)C(C)C(=O)CCF 1458a_100000755409_100011217306 [1,1,0,0,0,0|2,0,0]=4 1562 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [1,1,0,0,0,0|2,0,0]=4 1563 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [1,1,0,0,0,0|1,0,1]=4 1564 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [1,1,0,0,0,0|1,0,0]=3 1565 B9R0.6 CCCC(=O)N(C)C(C)C 11a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 1566 B9R0.6 CCCC(=O)N(C)C(C)C 1626a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 1567 B9R0.6 CCCC(=O)N(C)C(C)C 240690a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 1568 B9R0.6 CCCC(=O)N(C)C(C)C 527a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 1569 B9R0.6 CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210303 [1,1,0,0,0,0|2,0,0]=4 1570 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [1,1,0,0,0,0|2,0,0]=4 1571 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [1,1,0,0,0,0|1,0,1]=4 1572 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [1,1,0,0,0,0|1,0,0]=3 1573 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [1,1,0,0,0,0|1,0,0]=3 1574 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [1,1,0,0,0,0|1,0,0]=3 1575 B9R0.6 CCNC(=O)C(C)N(C)C 2230a_100102631434_100000230173 [1,1,0,0,0,0|2,0,0]=4 1576 B9R0.6 CCNC(=O)C(C)N(C)C 269982a_100102631434_100000230173 [1,1,0,0,0,0|2,0,0]=4 1577 B9R0.6 CCNC(=O)N(C)C(C)C 2708a_100015525214_200000211004 [1,1,0,0,0,0|2,0,0]=4 1578 B9R0.6 CCNC(=O)N(C)C(C)C 273464a_100015525214_200000211004 [1,1,0,0,0,0|2,0,0]=4 1579 B9R0.6 CCNC(=O)[C@H](C)N(C)C 240690a_100015525214_100009822176 [1,1,0,0,0,0|2,0,0]=4 1580 B9R0.6 CCNC(=O)[C@H](C)N(C)C 527a_100015525214_100009822176 [1,1,0,0,0,0|2,0,0]=4 1581 B9R0.6 CCNC(=O)[C@H](O)C(C)C 240690a_100015525214_100000691806 [1,1,0,0,0,0|2,0,0]=4 1582 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [1,1,0,0,0,0|0,0,1]=3 1583 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [1,1,0,0,0,0|0,0,1]=3 1584 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [1,1,0,0,0,0|0,0,1]=3 1585 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [1,1,0,0,0,0|1,0,0]=3 1586 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [1,1,0,0,0,0|1,0,0]=3 1587 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [1,1,0,0,0,0|1,0,1]=4 1588 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [1,1,0,0,0,0|2,0,0]=4 1589 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [1,1,0,0,0,0|2,0,0]=4 1590 B9R0.6 CNNC(=O)C(C)C(C)C 22a_100016993582_100000755409 [1,1,0,0,0,0|2,0,0]=4 1591 B9R0.8 C#CC(C)C(=O)COCC 1458a_100000211967_200000035995 [1,1,0,0,0,0|0,0,2]=4 1592 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100000692101_100000758301 [1,1,0,0,0,0|1,0,1]=4 1593 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100011192722_100000753159 [1,1,0,0,0,0|1,0,1]=4 1594 B9R0.8 C#CCNC(=O)C(C)CC 11a_100000212058_100011192722 [1,1,0,0,0,0|1,0,1]=4 1595 B9R0.8 C#CCNC(=O)C(C)CC 1626a_100000212058_100011192722 [1,1,0,0,0,0|1,0,1]=4 1596 B9R0.8 C#CCNC(=O)C(C)CC 240690a_100000212058_100011192722 [1,1,0,0,0,0|1,0,1]=4 1597 B9R0.8 C#CCNC(=O)C(C)CC 527a_100000212058_100011192722 [1,1,0,0,0,0|1,0,1]=4 1598 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [1,1,0,0,0,0|1,0,1]=4 1599 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [1,1,0,0,0,0|1,0,1]=4 1600 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [1,1,0,0,0,0|1,0,1]=4 1601 B9R0.8 C=CCNC(=O)C(C)CC 1626a_100020586998_100011192722 [1,1,0,0,0,0|1,0,1]=4 1602 B9R0.8 C=CCNC(=O)C(C)CC 240690a_100020586998_100011192722 [1,1,0,0,0,0|1,0,1]=4 1603 B9R0.8 C=CCNC(=O)C(C)CC 527a_100020586998_100011192722 [1,1,0,0,0,0|1,0,1]=4 1604 B9R0.8 CC#CCC(=O)C(C)CC 1458a_100011192722_100000748600 [1,1,0,0,0,0|1,0,1]=4 1605 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [1,1,0,0,0,0|1,0,1]=4 1606 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [1,1,0,0,0,0|1,0,1]=4 1607 B9R0.8 CC=NNC(=O)C(C)CC 4a_100000740736_200000210099 [1,1,0,0,0,0|1,0,1]=4 1608 B9R0.8 CCC#CC(=O)C(C)CC 1458a_100011827653_100000758301 [1,1,0,0,0,0|1,0,0]=3 1609 B9R0.8 CCC(C)C(=O)C#CCO 1458a_100000049017_100000758301 [1,1,0,0,0,0|1,0,1]=4 1610 B9R0.8 CCC(C)C(=O)C=COC 1458a_100016268678_100000758301 [1,1,0,0,0,0|1,0,1]=4 1611 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011192722_100011215226 [1,1,0,0,0,0|1,0,1]=4 1612 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011934036_100000758301 [1,1,0,0,0,0|1,0,1]=4 1613 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [1,1,0,0,0,0|1,0,0]=3 1614 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [1,1,0,0,0,0|1,0,0]=3 1615 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [1,1,0,0,0,0|1,0,0]=3 1616 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [1,1,0,0,0,0|1,0,0]=3 1617 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [1,1,0,0,0,0|1,0,0]=3 1618 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [1,1,0,0,0,0|1,0,0]=3 1619 B9R0.8 CCC(C)C(=O)NCC#N 1626a_100000734998_100011192722 [1,1,0,0,0,0|1,0,1]=4 1620 B9R0.8 CCC(C)C(=O)NCC#N 527a_100000734998_100011192722 [1,1,0,0,0,0|1,0,1]=4 1621 B9R0.8 CCC(C)C(=O)NCCF 11a_100000724931_100011192722 [1,1,0,0,0,0|1,0,0]=3 1622 B9R0.8 CCC(C)C(=O)NCCF 1626a_100000724931_100011192722 [1,1,0,0,0,0|1,0,0]=3 1623 B9R0.8 CCC(C)C(=O)NCCF 240690a_100000724931_100011192722 [1,1,0,0,0,0|1,0,0]=3 1624 B9R0.8 CCC(C)C(=O)NCCF 527a_100000724931_100011192722 [1,1,0,0,0,0|1,0,0]=3 1625 B9R0.8 CCC(C)C(=O)NCCO 240690a_100000210304_100011192722 [1,1,0,0,0,0|1,0,0]=3 1626 B9R0.8 CCC(C)C(=O)NCCO 527a_100000210304_100011192722 [1,1,0,0,0,0|1,0,0]=3 1627 B9R0.8 CCC(C)C(C)OCCF 7a_100011215189_100011217306 [1,1,0,0,0,0|1,0,1]=4 1628 B9R0.8 CCC(C)C(C)OCCO 7a_100011215189_100000211926 [1,1,0,0,0,0|1,0,1]=4 1629 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [1,1,0,0,0,0|2,0,0]=4 1630 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [1,1,0,0,0,0|2,0,0]=4 1631 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [1,1,0,0,0,0|2,0,0]=4 1632 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [1,1,0,0,0,0|2,0,0]=4 1633 B9R0.8 CCC(O)C(=O)NCCF 240690a_100000724931_100011196387 [1,1,0,0,0,0|2,0,0]=4 1634 B9R0.8 CCC(O)C(=O)NCCO 240690a_100000210304_100011196387 [1,1,0,0,0,0|2,0,0]=4 1635 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [1,1,0,0,0,0|1,0,0]=3 1636 B9R0.8 CCC=CC(=O)N(C)CC 11a_100000225621_100000212282 [1,1,0,0,0,0|2,0,0]=4 1637 B9R0.8 CCC=CC(=O)N(C)CC 1626a_100000225621_100000212282 [1,1,0,0,0,0|2,0,0]=4 1638 B9R0.8 CCC=CC(=O)N(C)CC 240690a_100000225621_100000212282 [1,1,0,0,0,0|2,0,0]=4 1639 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [1,1,0,0,0,0|1,0,0]=3 1640 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [1,1,0,0,0,0|1,0,0]=3 1641 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [1,1,0,0,0,0|2,0,0]=4 1642 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [1,1,0,0,0,0|2,0,0]=4 1643 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [1,1,0,0,0,0|2,0,0]=4 1644 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [1,1,0,0,0,0|2,0,0]=4 1645 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [1,1,0,0,0,0|2,0,0]=4 1646 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [1,1,0,0,0,0|2,0,0]=4 1647 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [1,1,0,0,0,0|2,0,0]=4 1648 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 1649 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 1650 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 1651 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 1652 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [1,1,0,0,0,0|2,0,0]=4 1653 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [1,1,0,0,0,0|2,0,0]=4 1654 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [1,1,0,0,0,0|2,0,0]=4 1655 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [1,1,0,0,0,0|2,0,0]=4 1656 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [1,1,0,0,0,0|2,0,0]=4 1657 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [1,1,0,0,0,0|2,0,0]=4 1658 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [1,1,0,0,0,0|2,0,0]=4 1659 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 1660 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 1661 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 1662 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [1,1,0,0,0,0|2,0,0]=4 1663 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 1664 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 1665 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 1666 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 1667 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 1668 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [1,1,0,0,0,0|2,0,0]=4 1669 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [1,1,0,0,0,0|2,0,0]=4 1670 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [1,1,0,0,0,0|2,0,0]=4 1671 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [1,1,0,0,0,0|2,0,0]=4 1672 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [1,1,0,0,0,0|2,0,0]=4 1673 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [1,1,0,0,0,0|2,0,0]=4 1674 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [1,1,0,0,0,0|2,0,0]=4 1675 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [1,1,0,0,0,0|1,0,0]=3 1676 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [1,1,0,0,0,0|1,0,0]=3 1677 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [1,1,0,0,0,0|1,0,0]=3 1678 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [1,1,0,0,0,0|1,0,0]=3 1679 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [1,1,0,0,0,0|1,0,0]=3 1680 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [1,1,0,0,0,0|1,0,0]=3 1681 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [1,1,0,0,0,0|1,0,0]=3 1682 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [1,1,0,0,0,0|1,0,0]=3 1683 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [1,1,0,0,0,0|1,0,0]=3 1684 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [1,1,0,0,0,0|1,0,0]=3 1685 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [1,1,0,0,0,0|1,0,0]=3 1686 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [1,1,0,0,0,0|1,0,0]=3 1687 B9R0.8 CCCOC(C)C(C)CC 7a_100011215189_100000210303 [1,1,0,0,0,0|1,0,1]=4 1688 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 1689 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 1690 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 1691 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 1692 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 1693 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 1694 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 1695 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 1696 B9R0.8 CCN(C)C(=O)NCCF 273464a_100000724931_100000225621 [1,1,0,0,0,0|2,0,0]=4 1697 B9R0.8 CCN(C)C(=O)NCCO 273464a_100000210304_100000225621 [1,1,0,0,0,0|2,0,0]=4 1698 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [1,1,0,0,0,0|2,0,0]=4 1699 B9R0.8 CCNN=C(C)C(C)CC 4a_100000756455_100000210599 [1,1,0,0,0,0|2,0,0]=4 1700 B9R0.8 CCNNC(=O)C(C)CC 22a_100000756455_100011192722 [1,1,0,0,0,0|1,0,0]=3 1701 B9R0.8 CCNNC(=O)C(C)OC 22a_100000756455_100000743197 [1,1,0,0,0,0|2,0,0]=4 1702 B9R0.8 CCNNC(=O)C(C)SC 22a_100000756455_100000149566 [1,1,0,0,0,0|2,0,0]=4 1703 B9R0.8 CCNNC(=O)C(O)CC 22a_100000756455_100011196387 [1,1,0,0,0,0|2,0,0]=4 1704 B9R0.8 CCOCC(=O)C(C)C#N 1458a_100000211967_100000703298 [1,1,0,0,0,0|1,0,1]=4 1705 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [1,1,0,0,0,0|0,0,0]=2 1706 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [1,1,0,0,0,0|1,0,0]=3 1707 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [1,1,0,0,0,0|1,0,0]=3 1708 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [1,1,0,0,0,0|1,0,0]=3 1709 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [1,1,0,0,0,0|1,0,0]=3 1710 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [1,1,0,0,0,0|1,0,0]=3 1711 B9R0.8 CCOCN(C)C(C)CC 269982a_100000741768_100000739092 [1,1,0,0,0,0|2,0,0]=4 1712 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [1,1,0,0,0,0|0,1,0]=3 1713 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [1,1,0,0,0,0|1,1,0]=4 1714 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [1,1,0,0,0,0|1,1,0]=4 1715 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [1,1,0,0,0,0|1,1,0]=4 1716 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [1,1,0,0,0,0|1,1,0]=4 1717 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [1,1,0,0,0,0|1,1,0]=4 1718 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [1,1,0,0,0,0|1,1,0]=4 1719 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [1,1,0,0,0,0|2,0,0]=4 1720 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [1,1,0,0,0,0|2,0,0]=4 1721 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [1,1,0,0,0,0|2,0,0]=4 1722 B9R0.8 COC(C)C(=O)NCCF 11a_100000724931_100000743197 [1,1,0,0,0,0|2,0,0]=4 1723 B9R0.8 COC(C)C(=O)NCCF 1626a_100000724931_100000743197 [1,1,0,0,0,0|2,0,0]=4 1724 B9R0.8 COC(C)C(=O)NCCF 240690a_100000724931_100000743197 [1,1,0,0,0,0|2,0,0]=4 1725 B9R0.8 COC(C)C(=O)NCCF 527a_100000724931_100000743197 [1,1,0,0,0,0|2,0,0]=4 1726 B9R0.8 COC(C)C(=O)NCCO 240690a_100000210304_100000743197 [1,1,0,0,0,0|2,0,0]=4 1727 B9R0.8 COC(C)C(=O)NCCO 527a_100000210304_100000743197 [1,1,0,0,0,0|2,0,0]=4 1728 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [1,1,0,0,0,0|2,0,0]=4 1729 B9R0.8 COCCC(=O)C(C)SC 1458a_100000149566_100000233755 [1,1,0,0,0,0|2,0,0]=4 1730 B9R0.8 CSC(C)C(=O)CCCF 1458a_100000149566_100011934791 [1,1,0,0,0,0|2,0,0]=4 1731 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [1,1,0,0,0,0|2,0,0]=4 1732 B9R0.8 CSC(C)C(=O)NCCF 11a_100000724931_100000149566 [1,1,0,0,0,0|2,0,0]=4 1733 B9R0.8 CSC(C)C(=O)NCCF 1626a_100000724931_100000149566 [1,1,0,0,0,0|2,0,0]=4 1734 B9R0.8 CSC(C)C(=O)NCCF 240690a_100000724931_100000149566 [1,1,0,0,0,0|2,0,0]=4 1735 B9R0.8 CSC(C)C(=O)NCCF 527a_100000724931_100000149566 [1,1,0,0,0,0|2,0,0]=4 1736 B9R0.8 CSC(C)C(=O)NCCO 240690a_100000210304_100000149566 [1,1,0,0,0,0|2,0,0]=4 1737 B9R0.8 CSC(C)C(=O)NCCO 527a_100000210304_100000149566 [1,1,0,0,0,0|2,0,0]=4 1738 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [1,1,0,0,0,0|2,0,0]=4 1739 B9R0.19 CCC(C)(C)C(=O)CCF 1458a_100000749717_100011217306 [1,1,0,0,0,0|2,0,0]=4 1740 B9R0.19 CCC(C)(C)C(=O)CCO 1458a_100000749717_100000211926 [1,1,0,0,0,0|2,0,0]=4 1741 B9R0.19 CCC(C)(C)C(=O)NNC 22a_100016993582_100000749717 [1,1,0,0,0,0|2,0,0]=4 1742 B9R0.19 CCC(C)(O)C(=O)CCF 1458a_100011219770_100011217306 [1,1,0,0,0,0|2,0,0]=4 1743 B9R0.19 CCC(C)(O)C(=O)CCO 1458a_100011219770_100000211926 [1,1,0,0,0,0|2,0,0]=4 1744 B9R0.19 CCC(C)(O)C(=O)NNC 22a_100016993582_100011219770 [1,1,0,0,0,0|2,0,0]=4 1745 B9R0.19 CCCC(=O)C(C)(C)CC 1458a_100000749717_100000210303 [1,1,0,0,0,0|1,0,0]=3 1746 B9R0.19 CCCC(=O)C(C)(C)CF 1458a_100000138116_100000210303 [1,1,0,0,0,0|2,0,0]=4 1747 B9R0.19 CCCC(=O)C(C)(C)CO 1458a_100000749806_100000210303 [1,1,0,0,0,0|2,0,0]=4 1748 B9R0.19 CCCC(=O)C(C)(C)OC 1458a_100000753492_100000210303 [1,1,0,0,0,0|2,0,0]=4 1749 B9R0.19 CCCC(=O)C(C)(O)CC 1458a_100011219770_100000210303 [1,1,0,0,0,0|1,0,0]=3 1750 B9R0.19 CCCC(=O)C(F)(F)CC 1458a_100000061896_100000210303 [1,1,0,0,0,0|2,0,0]=4 1751 B9R0.19 CCNC(=O)C(C)(C)CC 11a_100015525214_100000749717 [1,1,0,0,0,0|1,0,0]=3 1752 B9R0.19 CCNC(=O)C(C)(C)CC 240690a_100015525214_100000749717 [1,1,0,0,0,0|1,0,0]=3 1753 B9R0.19 CCNC(=O)C(C)(C)CC 527a_100015525214_100000749717 [1,1,0,0,0,0|1,0,0]=3 1754 B9R0.19 CCNC(=O)C(C)(C)CF 11a_100015525214_100000138116 [1,1,0,0,0,0|2,0,0]=4 1755 B9R0.19 CCNC(=O)C(C)(C)CF 240690a_100015525214_100000138116 [1,1,0,0,0,0|2,0,0]=4 1756 B9R0.19 CCNC(=O)C(C)(C)CF 527a_100015525214_100000138116 [1,1,0,0,0,0|2,0,0]=4 1757 B9R0.19 CCNC(=O)C(C)(C)CO 240690a_100015525214_100000749806 [1,1,0,0,0,0|2,0,0]=4 1758 B9R0.19 CCNC(=O)C(C)(C)CO 527a_100015525214_100000749806 [1,1,0,0,0,0|2,0,0]=4 1759 B9R0.19 CCNC(=O)C(C)(C)OC 11a_100015525214_100000753492 [1,1,0,0,0,0|2,0,0]=4 1760 B9R0.19 CCNC(=O)C(C)(C)OC 240690a_100015525214_100000753492 [1,1,0,0,0,0|2,0,0]=4 1761 B9R0.19 CCNC(=O)C(C)(C)OC 527a_100015525214_100000753492 [1,1,0,0,0,0|2,0,0]=4 1762 B9R0.19 CCNC(=O)C(C)(O)CC 240690a_100015525214_100011219770 [1,1,0,0,0,0|1,0,0]=3 1763 B9R0.19 CCNC(=O)C(F)(F)CC 11a_100015525214_100000061896 [1,1,0,0,0,0|2,0,0]=4 1764 B9R0.19 CCNC(=O)C(F)(F)CC 240690a_100015525214_100000061896 [1,1,0,0,0,0|2,0,0]=4 1765 B9R0.19 CCNC(=O)C(F)(F)CC 527a_100015525214_100000061896 [1,1,0,0,0,0|2,0,0]=4 1766 B9R0.19 CCOC(=O)C(C)(C)NC 2230a_106832991635_100011216345 [1,1,0,0,0,0|1,0,0]=3 1767 B9R0.19 CCOC(=O)C(C)(C)NC 7a_106832991635_100011216345 [1,1,0,0,0,0|1,0,0]=3 1768 B9R0.19 CCOC(=O)C(C)(C)OC 34a_100000686869_200000210301 [1,1,0,0,0,0|1,0,0]=3 1769 B9R0.19 CCOC(=O)C(C)(C)OC 7a_100000686869_200000210301 [1,1,0,0,0,0|1,0,0]=3 1770 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 34a_100000686869_200025704644 [1,1,0,0,0,0|1,0,0]=3 1771 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 7a_100000686869_200025704644 [1,1,0,0,0,0|1,0,0]=3 1772 B9R0.19 CCOC(=O)C(C)(C)SC 62a_100011216345_200000210301 [1,1,0,0,0,0|1,0,0]=3 1773 B9R0.19 CCOC(=O)C(C)(C)SC 62a_200000210301_100011216345 [1,1,0,0,0,0|1,0,0]=3 1774 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_100011216345_200025704644 [1,1,0,0,0,0|1,0,0]=3 1775 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_200025704644_100011216345 [1,1,0,0,0,0|1,0,0]=3 1776 B9R0.19 CCOC(=O)C(F)(F)NC 34a_100102657272_100000210910 [1,1,0,0,0,0|2,0,0]=4 1777 B9R0.19 CCOC(=O)C(F)(F)NC 7a_106832991635_100000210910 [1,1,0,0,0,0|2,0,0]=4 1778 B9R0.19 CCOC(=O)C(F)(F)OC 34a_100138415774_100000210910 [1,1,0,0,0,0|2,0,0]=4 1779 B9R0.19 CCOC(=O)C(F)(F)SC 62a_100000210910_200000210301 [1,1,0,0,0,0|2,0,0]=4 1780 B9R0.19 CCOC(=O)C(F)(F)SC 62a_200000210301_100000210910 [1,1,0,0,0,0|2,0,0]=4 1781 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_100000210910_200025704644 [1,1,0,0,0,0|2,0,0]=4 1782 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000210910 [1,1,0,0,0,0|2,0,0]=4 1783 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [1,1,0,0,0,0|1,0,1]=4 1784 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 2230a_100015205314_200025704644 [1,1,0,0,0,0|2,0,0]=4 1785 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 34a_100015205314_200025704644 [1,1,0,0,0,0|2,0,0]=4 1786 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_100000195394_200025704644 [1,1,0,0,0,0|2,0,0]=4 1787 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_200025704644_100000195394 [1,1,0,0,0,0|2,0,0]=4 1788 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 34a_100015307928_200025704644 [1,1,0,0,0,0|1,0,0]=3 1789 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 7a_100015307928_200025704644 [1,1,0,0,0,0|1,0,0]=3 1790 B9R0.23 CCC(C)C(=O)C=C(C)C 1458a_100000211388_100000758301 [1,1,0,0,0,0|1,0,1]=4 1791 B9R0.23 CCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000758301 [1,1,0,0,0,0|1,0,1]=4 1792 B9R0.23 CCC(C)C(=O)C=C(C)I 1458a_100025716642_100000758301 [1,1,0,0,0,0|1,0,1]=4 1793 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [1,1,0,0,0,0|1,0,0]=3 1794 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [1,1,0,0,0,0|1,0,0]=3 1795 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [1,1,0,0,0,0|1,0,0]=3 1796 B9R0.23 CCC(C)C(=O)CC(F)F 1458a_100011192722_100011934356 [1,1,0,0,0,0|2,0,0]=4 1797 B9R0.23 CCC(C)C(=O)CN(C)C 1458a_100000750896_100000758301 [1,1,0,0,0,0|2,0,0]=4 1798 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [1,1,0,0,0,0|1,0,0]=3 1799 B9R0.23 CCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000758301 [1,1,0,0,0,0|2,0,0]=4 1800 B9R0.23 CCC(C)C(=O)NC(C)C 11a_100138425928_100011192722 [1,1,0,0,0,0|1,0,0]=3 1801 B9R0.23 CCC(C)C(=O)NC(C)C 1626a_100138425928_100011192722 [1,1,0,0,0,0|1,0,0]=3 1802 B9R0.23 CCC(C)C(=O)NC(C)C 240690a_100138425928_100011192722 [1,1,0,0,0,0|1,0,0]=3 1803 B9R0.23 CCC(C)C(=O)NC(C)C 527a_100138425928_100011192722 [1,1,0,0,0,0|1,0,0]=3 1804 B9R0.23 CCC(C)C(C)OC(C)C 7a_100011215189_100000210206 [1,1,0,0,0,0|1,0,1]=4 1805 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [1,1,0,0,0,0|2,0,0]=4 1806 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [1,1,0,0,0,0|2,0,0]=4 1807 B9R0.23 CCC(O)C(=O)NC(C)C 240690a_100138425928_100011196387 [1,1,0,0,0,0|2,0,0]=4 1808 B9R0.23 CCN(C)C(=O)CC(C)C 11a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 1809 B9R0.23 CCN(C)C(=O)CC(C)C 1626a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 1810 B9R0.23 CCN(C)C(=O)CC(C)C 240690a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 1811 B9R0.23 CCN(C)C(=O)CC(C)C 527a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 1812 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 240690a_100000225621_100011933948 [1,1,0,0,0,0|2,0,0]=4 1813 B9R0.23 CCN(C)C(=O)NC(C)C 2708a_100138425928_100000225621 [1,1,0,0,0,0|2,0,0]=4 1814 B9R0.23 CCN(C)C(=O)NC(C)C 273464a_100138425928_100000225621 [1,1,0,0,0,0|2,0,0]=4 1815 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_100015205314_200000210301 [1,1,0,0,0,0|2,0,0]=4 1816 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_106832991635_100000195394 [1,1,0,0,0,0|2,0,0]=4 1817 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100015205314_200000210301 [1,1,0,0,0,0|2,0,0]=4 1818 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100102657272_100000195394 [1,1,0,0,0,0|2,0,0]=4 1819 B9R0.23 CNC(C)C(=O)NC(C)C 7a_106832991635_100000195394 [1,1,0,0,0,0|2,0,0]=4 1820 B9R0.23 COC(C)C(=O)CC(C)C 1458a_100000743197_100000210624 [1,1,0,0,0,0|2,0,0]=4 1821 B9R0.23 COC(C)C(=O)CC(C)O 1458a_100000743197_100011218427 [1,1,0,0,0,0|2,0,0]=4 1822 B9R0.23 COC(C)C(=O)NC(C)C 11a_100138425928_100000743197 [1,1,0,0,0,0|2,0,0]=4 1823 B9R0.23 COC(C)C(=O)NC(C)C 1626a_100138425928_100000743197 [1,1,0,0,0,0|2,0,0]=4 1824 B9R0.23 COC(C)C(=O)NC(C)C 240690a_100138425928_100000743197 [1,1,0,0,0,0|2,0,0]=4 1825 B9R0.23 COC(C)C(=O)NC(C)C 34a_100138415774_100000195394 [1,1,0,0,0,0|2,0,0]=4 1826 B9R0.23 COC(C)C(=O)NC(C)C 527a_100138425928_100000743197 [1,1,0,0,0,0|2,0,0]=4 1827 B9R0.23 CO[C@H](C)C(=O)OC(C)C 34a_100015307928_200000210301 [1,1,0,0,0,0|1,0,0]=3 1828 B9R0.23 CO[C@H](C)C(=O)OC(C)C 7a_100015307928_200000210301 [1,1,0,0,0,0|1,0,0]=3 1829 B9R0.23 CSC(C)C(=O)CC(C)C 1458a_100000149566_100000210624 [1,1,0,0,0,0|2,0,0]=4 1830 B9R0.23 CSC(C)C(=O)CC(C)O 1458a_100000149566_100011218427 [1,1,0,0,0,0|2,0,0]=4 1831 B9R0.23 CSC(C)C(=O)NC(C)C 11a_100138425928_100000149566 [1,1,0,0,0,0|2,0,0]=4 1832 B9R0.23 CSC(C)C(=O)NC(C)C 1626a_100138425928_100000149566 [1,1,0,0,0,0|2,0,0]=4 1833 B9R0.23 CSC(C)C(=O)NC(C)C 240690a_100138425928_100000149566 [1,1,0,0,0,0|2,0,0]=4 1834 B9R0.23 CSC(C)C(=O)NC(C)C 527a_100138425928_100000149566 [1,1,0,0,0,0|2,0,0]=4 1835 B9R0.23 CSC(C)C(=O)NC(C)C 62a_100000195394_200000210301 [1,1,0,0,0,0|2,0,0]=4 1836 B9R0.23 CSC(C)C(=O)NC(C)C 62a_200000210301_100000195394 [1,1,0,0,0,0|2,0,0]=4 1837 B9R0.27 C/C=C(\C)/C(=O)C(C)CC 1458a_100020587367_100000758301 [1,1,0,0,0,0|1,0,1]=4 1838 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [1,1,0,0,0,0|2,0,0]=4 1839 B9R0.27 CCC(C)C(=O)C(C)CC 1458a_100011192722_100000758301 [1,1,0,0,0,0|1,0,0]=3 1840 B9R0.27 CCC(C)C(=O)C(C)OC 1458a_100000743197_100000758301 [1,1,0,0,0,0|2,0,0]=4 1841 B9R0.27 CCC(C)C(=O)C(C)SC 1458a_100000149566_100000758301 [1,1,0,0,0,0|2,0,0]=4 1842 B9R0.27 CCC(C)C(=O)C(O)CC 1458a_100011196387_100000758301 [1,1,0,0,0,0|1,0,0]=3 1843 B9R0.27 CCC(C)C(=O)C(O)CO 1458a_100011215603_100000758301 [1,1,0,0,0,0|2,0,0]=4 1844 B9R0.27 CCC(C)C(=O)N(C)CC 11a_100000225621_100011192722 [1,1,0,0,0,0|1,0,0]=3 1845 B9R0.27 CCC(C)C(=O)N(C)CC 1626a_100000225621_100011192722 [1,1,0,0,0,0|1,0,0]=3 1846 B9R0.27 CCC(C)C(=O)N(C)CC 240690a_100000225621_100011192722 [1,1,0,0,0,0|1,0,0]=3 1847 B9R0.27 CCC(C)C(=O)N(C)CC 527a_100000225621_100011192722 [1,1,0,0,0,0|1,0,0]=3 1848 B9R0.27 CCC(O)C(=O)N(C)CC 240690a_100000225621_100011196387 [1,1,0,0,0,0|2,0,0]=4 1849 B9R0.27 CCN(C)C(=O)C(C)NC 2230a_106832991635_200012002205 [1,1,0,0,0,0|2,0,0]=4 1850 B9R0.27 CCN(C)C(=O)C(C)NC 34a_100102657272_200012002205 [1,1,0,0,0,0|2,0,0]=4 1851 B9R0.27 CCN(C)C(=O)C(C)NC 7a_106832991635_200012002205 [1,1,0,0,0,0|2,0,0]=4 1852 B9R0.27 CCN(C)C(=O)C(C)OC 11a_100000225621_100000743197 [1,1,0,0,0,0|2,0,0]=4 1853 B9R0.27 CCN(C)C(=O)C(C)OC 1626a_100000225621_100000743197 [1,1,0,0,0,0|2,0,0]=4 1854 B9R0.27 CCN(C)C(=O)C(C)OC 240690a_100000225621_100000743197 [1,1,0,0,0,0|2,0,0]=4 1855 B9R0.27 CCN(C)C(=O)C(C)OC 34a_100138415774_200012002205 [1,1,0,0,0,0|2,0,0]=4 1856 B9R0.27 CCN(C)C(=O)C(C)OC 527a_100000225621_100000743197 [1,1,0,0,0,0|2,0,0]=4 1857 B9R0.27 CCN(C)C(=O)C(C)SC 11a_100000225621_100000149566 [1,1,0,0,0,0|2,0,0]=4 1858 B9R0.27 CCN(C)C(=O)C(C)SC 1626a_100000225621_100000149566 [1,1,0,0,0,0|2,0,0]=4 1859 B9R0.27 CCN(C)C(=O)C(C)SC 240690a_100000225621_100000149566 [1,1,0,0,0,0|2,0,0]=4 1860 B9R0.27 CCN(C)C(=O)C(C)SC 527a_100000225621_100000149566 [1,1,0,0,0,0|2,0,0]=4 1861 B9R0.27 CCN(C)C(=O)C(C)SC 62a_200000210301_200012002205 [1,1,0,0,0,0|2,0,0]=4 1862 B9R0.27 CCN(C)C(=O)C(C)SC 62a_200012002205_200000210301 [1,1,0,0,0,0|2,0,0]=4 1863 B9R0.27 CCN(C)C(=O)C(C)S[13CH3] 62a_200012002205_200025704644 [1,1,0,0,0,0|2,0,0]=4 1864 B9R0.27 CCN(C)C(=O)C(C)S[13CH3] 62a_200025704644_200012002205 [1,1,0,0,0,0|2,0,0]=4 1865 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [1,1,0,0,0,0|0,0,2]=4 1866 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [1,1,0,0,0,0|0,0,2]=4 1867 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [1,1,0,0,0,0|0,0,2]=4 1868 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [1,1,0,0,0,0|0,0,2]=4 1869 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [1,1,0,0,0,0|0,0,2]=4 1870 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [1,1,0,0,0,0|0,0,2]=4 1871 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [1,1,0,0,0,0|0,0,2]=4 1872 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [1,1,0,0,0,0|1,0,1]=4 1873 B9R0.35 C=CCC(C)C(=O)NCC 11a_100015525214_100011216819 [1,1,0,0,0,0|1,0,1]=4 1874 B9R0.35 C=CCC(C)C(=O)NCC 240690a_100015525214_100011216819 [1,1,0,0,0,0|1,0,1]=4 1875 B9R0.35 C=CCC(C)C(=O)NCC 527a_100015525214_100011216819 [1,1,0,0,0,0|1,0,1]=4 1876 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [1,1,0,0,0,0|1,0,1]=4 1877 B9R0.35 CC#CC(=O)C(C)CCO 1458a_100000763181_100009893172 [1,1,0,0,0,0|1,0,1]=4 1878 B9R0.35 CC#CC(=O)C(C)COC 1458a_100000763181_100000765312 [1,1,0,0,0,0|1,0,1]=4 1879 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [1,1,0,0,0,0|2,0,0]=4 1880 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [1,1,0,0,0,0|1,0,1]=4 1881 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [1,1,0,0,0,0|1,0,1]=4 1882 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [1,1,0,0,0,0|1,0,1]=4 1883 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [1,1,0,0,0,0|1,0,1]=4 1884 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [1,1,0,0,0,0|1,0,1]=4 1885 B9R0.35 CC=CC(=O)C(C)CCO 1458a_100000210699_100009893172 [1,1,0,0,0,0|1,0,1]=4 1886 B9R0.35 CC=CC(=O)C(C)COC 1458a_100000210699_100000765312 [1,1,0,0,0,0|1,0,1]=4 1887 B9R0.35 CCCC(=O)C(C)CC#N 1458a_100000211992_100009813641 [1,1,0,0,0,0|1,0,1]=4 1888 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [1,1,0,0,0,0|1,0,0]=3 1889 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [1,1,0,0,0,0|1,0,0]=3 1890 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [1,1,0,0,0,0|1,0,0]=3 1891 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [1,1,0,0,0,0|1,0,0]=3 1892 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [1,1,0,0,0,0|1,0,0]=3 1893 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [1,1,0,0,0,0|1,0,0]=3 1894 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [1,1,0,0,0,0|1,0,0]=3 1895 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [1,1,0,0,0,0|1,0,0]=3 1896 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 1897 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 1898 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 1899 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 1900 B9R0.35 CCCC(=O)N(C)CCO 240690a_100000210263_100000211992 [1,1,0,0,0,0|2,0,0]=4 1901 B9R0.35 CCCC(=O)N(C)CCO 527a_100000210263_100000211992 [1,1,0,0,0,0|2,0,0]=4 1902 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [1,1,0,0,0,0|2,0,0]=4 1903 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [1,1,0,0,0,0|2,0,0]=4 1904 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [1,1,0,0,0,0|2,0,0]=4 1905 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [1,1,0,0,0,0|2,0,0]=4 1906 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [1,1,0,0,0,0|2,0,0]=4 1907 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [1,1,0,0,0,0|2,0,0]=4 1908 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 1909 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 1910 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 1911 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [1,1,0,0,0,0|2,0,0]=4 1912 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [1,1,0,0,0,0|1,0,1]=4 1913 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [1,1,0,0,0,0|1,0,1]=4 1914 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [1,1,0,0,0,0|2,0,0]=4 1915 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [1,1,0,0,0,0|2,0,0]=4 1916 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [1,1,0,0,0,0|2,0,0]=4 1917 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [1,1,0,0,0,0|1,0,1]=4 1918 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [1,1,0,0,0,0|1,0,1]=4 1919 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [1,1,0,0,0,0|1,0,0]=3 1920 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [1,1,0,0,0,0|1,0,0]=3 1921 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [1,1,0,0,0,0|1,0,0]=3 1922 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [1,1,0,0,0,0|1,0,0]=3 1923 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [1,1,0,0,0,0|1,0,0]=3 1924 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [1,1,0,0,0,0|1,0,0]=3 1925 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [1,1,0,0,0,0|1,0,0]=3 1926 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [1,1,0,0,0,0|1,0,0]=3 1927 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [1,1,0,0,0,0|1,0,0]=3 1928 B9R0.35 CCNC(=O)C(C)NCF 34a_100000736553_100015361967 [1,1,0,0,0,0|2,0,0]=4 1929 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [1,1,0,0,0,0|1,0,0]=3 1930 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [1,1,0,0,0,0|1,0,0]=3 1931 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [1,1,0,0,0,0|1,0,0]=3 1932 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [1,1,0,0,0,0|1,0,0]=3 1933 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [1,1,0,0,0,0|1,0,0]=3 1934 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [1,1,0,0,0,0|1,0,0]=3 1935 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [1,1,0,0,0,0|1,0,0]=3 1936 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [1,1,0,0,0,0|1,0,0]=3 1937 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [1,1,0,0,0,0|1,0,0]=3 1938 B9R0.35 CCNC(=O)C(C)SCF 62a_100000230173_100015361967 [1,1,0,0,0,0|2,0,0]=4 1939 B9R0.35 CCNC(=O)C(C)SCF 62a_100015361967_100000230173 [1,1,0,0,0,0|2,0,0]=4 1940 B9R0.35 CCNC(=O)N(C)CCO 2708a_100015525214_100000210263 [1,1,0,0,0,0|2,0,0]=4 1941 B9R0.35 CCNC(=O)N(C)CCO 273464a_100015525214_100000210263 [1,1,0,0,0,0|2,0,0]=4 1942 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [1,1,0,0,0,0|0,0,0]=2 1943 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [1,1,0,0,0,0|1,0,0]=3 1944 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [1,1,0,0,0,0|0,1,0]=3 1945 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [1,1,0,0,0,0|1,0,1]=4 1946 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [1,1,0,0,0,0|1,0,1]=4 1947 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [1,1,0,0,0,0|1,0,1]=4 1948 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [1,1,0,0,0,0|1,0,1]=4 1949 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [1,1,0,0,0,0|0,0,0]=2 1950 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [1,1,0,0,0,0|0,0,0]=2 1951 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [1,1,0,0,0,0|0,0,0]=2 1952 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [1,1,0,0,0,0|1,0,0]=3 1953 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [1,1,0,0,0,0|1,0,0]=3 1954 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [1,1,0,0,0,0|1,0,0]=3 1955 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [1,1,0,0,0,0|1,0,0]=3 1956 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [1,1,0,0,0,0|1,0,0]=3 1957 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [1,1,0,0,0,0|2,0,0]=4 1958 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [1,1,0,0,0,0|2,0,0]=4 1959 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [1,1,0,0,0,0|0,0,0]=2 1960 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [1,1,0,0,0,0|1,0,0]=3 1961 B9R0.35 CCOC(C)C(=O)CCF 1458a_100000739345_100011217306 [1,1,0,0,0,0|2,0,0]=4 1962 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [1,1,0,0,0,0|2,0,0]=4 1963 B9R0.35 CCOC(C)C(=O)NNC 22a_100016993582_100000739345 [1,1,0,0,0,0|2,0,0]=4 1964 B9R0.35 CCSC(C)C(=O)CCF 1458a_100000230601_100011217306 [1,1,0,0,0,0|2,0,0]=4 1965 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [1,1,0,0,0,0|2,0,0]=4 1966 B9R0.35 CCSC(C)C(=O)NNC 22a_100016993582_100000230601 [1,1,0,0,0,0|2,0,0]=4 1967 B9R0.35 CNNC(=O)C(C)COC 22a_100016993582_100000751857 [1,1,0,0,0,0|2,0,0]=4 1968 B9R0.35 CNNC(=O)C(C)CSC 22a_100016993582_100000753918 [1,1,0,0,0,0|2,0,0]=4 1969 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [1,1,0,0,0,0|2,0,0]=4 1970 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [1,1,0,0,0,0|2,0,0]=4 1971 B9R0.35 COCC(C)C(=O)CCF 1458a_100000751857_100011217306 [1,1,0,0,0,0|2,0,0]=4 1972 B9R0.35 COCC(C)C(=O)CCO 1458a_100000751857_100000211926 [1,1,0,0,0,0|2,0,0]=4 1973 B9R0.35 COCC(C)C(=O)CCO 1458a_100011216618_100000765312 [1,1,0,0,0,0|2,0,0]=4 1974 B9R0.35 COCC(C)C(=O)CSC 1458a_100000184570_100000765312 [1,1,0,0,0,0|2,0,0]=4 1975 B9R0.35 CSCC(=O)C(C)CCO 1458a_100000184570_100009893172 [1,1,0,0,0,0|2,0,0]=4 1976 B9R0.35 CSCC(C)C(=O)CCF 1458a_100000753918_100011217306 [1,1,0,0,0,0|2,0,0]=4 1977 B9R0.35 CSCC(C)C(=O)CCO 1458a_100000753918_100000211926 [1,1,0,0,0,0|2,0,0]=4 1978 B9R0.60 CCNS(=O)(=O)C(C)CC 270084a_100015525214_100000685195 [1,1,0,0,0,0|2,0,0]=4 1979 B9R0.60 CCNS(=O)(=O)C(C)CC 274078a_100015525214_100000685195 [1,1,0,0,0,0|2,0,0]=4 1980 B9R0.13 CCC(COCF)C(C)C 34a_100011995916_100015361967 [1,1,0,0,0,0|1,0,1]=4 1981 B9R0.13 CCC(COCF)C(C)C 7a_100011995916_100015361967 [1,1,0,0,0,0|1,0,1]=4 1982 B9R0.13 CCCNC(CC)C(C)C 270004a_100020643023_100000210600 [1,1,0,0,0,0|2,0,0]=4 1983 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210303 [1,1,0,0,0,0|2,0,0]=4 1984 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210303 [1,1,0,0,0,0|2,0,0]=4 1985 B9R0.13 CCCOC(CC)C(C)C 34a_100011218073_100000210303 [1,1,0,0,0,0|2,0,0]=4 1986 B9R0.13 CCCOC(CC)C(C)C 7a_100011218073_100000210303 [1,1,0,0,0,0|2,0,0]=4 1987 B9R0.13 CCNCC(CC)C(C)C 269862a_100015525214_100011214906 [1,1,0,0,0,0|1,0,1]=4 1988 B9R0.13 CCOCC(CC)C(C)C 34a_100011995916_100000210202 [1,1,0,0,0,0|0,0,1]=3 1989 B9R0.13 CCOCC(CC)C(C)C 7a_100011995916_100000210202 [1,1,0,0,0,0|0,0,1]=3 1990 B9R0.13 CCOCC(CN)C(C)C 34a_100000692819_100000210202 [1,1,0,0,0,0|1,0,1]=4 1991 B9R0.13 CCOCN(CC)C(C)C 269982a_100000223864_100000739092 [1,1,0,0,0,0|1,0,1]=4 1992 B9R0.26 CCC(=O)CC(CC)CC 1458a_100000210414_100011215472 [1,1,0,0,0,0|1,0,1]=4 1993 B9R0.26 CCC(=O)NC(CC)CC 11a_100000199018_100000210414 [1,1,0,0,0,0|2,0,0]=4 1994 B9R0.26 CCC(=O)NC(CC)CC 1626a_100000199018_100000210414 [1,1,0,0,0,0|2,0,0]=4 1995 B9R0.26 CCC(=O)NC(CC)CC 240690a_100000199018_100000210414 [1,1,0,0,0,0|2,0,0]=4 1996 B9R0.26 CCC(=O)NC(CC)CC 527a_100000199018_100000210414 [1,1,0,0,0,0|2,0,0]=4 1997 B9R0.26 CCC(C)NC(CC)CC 2230a_100000199018_100000758301 [1,1,0,0,0,0|2,0,0]=4 1998 B9R0.26 CCC(C)NC(CC)CC 270004a_100000209981_100000210860 [1,1,0,0,0,0|2,0,0]=4 1999 B9R0.26 CCC(C)OC(CC)CC 7a_100000210228_100000210505 [1,1,0,0,0,0|2,0,0]=4 2000 B9R0.26 CCC(C)OC(CC)CC 7a_100000688536_100000758301 [1,1,0,0,0,0|2,0,0]=4 2001 B9R0.26 CCC(C)SC(CC)CC 62a_100000210505_100000758301 [1,1,0,0,0,0|2,0,0]=4 2002 B9R0.26 CCC(C)SC(CC)CC 62a_100000758301_100000210505 [1,1,0,0,0,0|2,0,0]=4 2003 B9R0.26 CCC(CC)CN(C)CC 2230a_100000225621_100011215472 [1,1,0,0,0,0|1,0,1]=4 2004 B9R0.26 CCC(CC)CN(C)CC 269982a_100000225621_100011215472 [1,1,0,0,0,0|1,0,1]=4 2005 B9R0.40 CCC/C=C(\CC)/CNC 269862a_106832991636_100020616858 [1,1,0,0,0,0|1,0,1]=4 2006 B9R0.40 CCC/C=C(\CC)/COC 34a_200015372368_200000210301 [1,1,0,0,0,0|1,0,1]=4 2007 B9R0.40 CCC/C=C(\CC)/COC 7a_200015372368_200000210301 [1,1,0,0,0,0|1,0,1]=4 2008 B9R0.40 CCC/C=C(\CC)/CO[13CH3] 34a_200015372368_200025704644 [1,1,0,0,0,0|1,0,1]=4 2009 B9R0.40 CCC/C=C(\CC)/CO[13CH3] 7a_200015372368_200025704644 [1,1,0,0,0,0|1,0,1]=4 2010 B9R0.40 CCCCC(CC)CNC 2230a_100000209976_200000210301 [1,1,0,0,0,0|1,0,1]=4 2011 B9R0.40 CCCCC(CC)CNC 2230a_106832991635_100000211942 [1,1,0,0,0,0|1,0,1]=4 2012 B9R0.40 CCCCC(CC)CNC 269862a_106832991636_100011219736 [1,1,0,0,0,0|1,0,1]=4 2013 B9R0.40 CCCCC(CC)CNC 270004a_106832991635_100011219736 [1,1,0,0,0,0|1,0,1]=4 2014 B9R0.40 CCCCC(CC)CNC 34a_100102657272_100000211942 [1,1,0,0,0,0|1,0,1]=4 2015 B9R0.40 CCCCC(CC)CNC 7a_106832991635_100000211942 [1,1,0,0,0,0|1,0,1]=4 2016 B9R0.40 CCCCC(CC)CN[13CH3] 2230a_100000209976_200025704644 [1,1,0,0,0,0|1,0,1]=4 2017 B9R0.40 CCCCC(CC)COC 34a_100000210273_200000210301 [1,1,0,0,0,0|1,0,1]=4 2018 B9R0.40 CCCCC(CC)COC 34a_100138415774_100000211942 [1,1,0,0,0,0|1,0,1]=4 2019 B9R0.40 CCCCC(CC)COC 7a_100000210273_200000210301 [1,1,0,0,0,0|1,0,1]=4 2020 B9R0.40 CCCCC(CC)CO[13CH3] 34a_100000210273_200025704644 [1,1,0,0,0,0|1,0,1]=4 2021 B9R0.40 CCCCC(CC)CO[13CH3] 7a_100000210273_200025704644 [1,1,0,0,0,0|1,0,1]=4 2022 B9R0.40 CCCCC(CC)CSC 62a_100000211942_200000210301 [1,1,0,0,0,0|1,0,1]=4 2023 B9R0.40 CCCCC(CC)CSC 62a_200000210301_100000211942 [1,1,0,0,0,0|1,0,1]=4 2024 B9R0.40 CCCCC(CC)CS[13CH3] 62a_100000211942_200025704644 [1,1,0,0,0,0|1,0,1]=4 2025 B9R0.40 CCCCC(CC)CS[13CH3] 62a_200025704644_100000211942 [1,1,0,0,0,0|1,0,1]=4 2026 B9R0.40 CCCCC(CC)NCC 270004a_100015525214_100000753412 [1,1,0,0,0,0|1,0,1]=4 2027 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [1,1,0,0,0,0|1,0,1]=4 2028 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [1,1,0,0,0,0|1,0,1]=4 2029 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [1,1,0,0,0,0|1,0,1]=4 2030 B9R0.40 CCCCC(CC)SCC 62a_100000210202_200011216223 [1,1,0,0,0,0|1,0,1]=4 2031 B9R0.40 CCCCC(CC)SCC 62a_200011216223_100000210202 [1,1,0,0,0,0|1,0,1]=4 2032 B9R0.40 CCCN(CC)COCC 269982a_100000226822_100000739092 [1,1,0,0,0,0|1,0,1]=4 2033 B9R0.40 CCCNC(CC)CCC 2230a_100000747048_100000210303 [1,1,0,0,0,0|2,0,0]=4 2034 B9R0.40 CCCNC(CC)CCC 270004a_100020643023_100000687865 [1,1,0,0,0,0|2,0,0]=4 2035 B9R0.40 CCCNC(CC)COC 2230a_100000757820_100000210303 [1,1,0,0,0,0|2,0,0]=4 2036 B9R0.40 CCCNC(CC)COC 270004a_100020643023_100000757811 [1,1,0,0,0,0|2,0,0]=4 2037 B9R0.40 CCCOC(CC)CCC 34a_100000687864_100000210303 [1,1,0,0,0,0|2,0,0]=4 2038 B9R0.40 CCCOC(CC)CCC 7a_100000687864_100000210303 [1,1,0,0,0,0|2,0,0]=4 2039 B9R0.40 CCCOC(CC)COC 7a_200011214946_100000210303 [1,1,0,0,0,0|2,0,0]=4 2040 B9R0.40 CCCSC(CC)CCC 62a_100000210303_100011219200 [1,1,0,0,0,0|2,0,0]=4 2041 B9R0.40 CCCSC(CC)CCC 62a_100011219200_100000210303 [1,1,0,0,0,0|2,0,0]=4 2042 B9R0.40 CCNCC(CC)OCC 2230a_100015183923_100000210202 [1,1,0,0,0,0|1,0,1]=4 2043 B9R0.40 CCNCC(CC)OCC 34a_100015183923_100000210202 [1,1,0,0,0,0|1,0,1]=4 2044 B9R0.40 CCOCC(CN)OCC 34a_102515437182_100000210202 [1,1,0,0,0,0|1,0,1]=4 2045 B9R0.40 CCOCN(CC)CCO 269982a_100000210973_100000739092 [1,1,0,0,0,0|1,0,1]=4 2046 B9R0.43 CCC(CC)CNC(C)C 2230a_100102946423_100000210206 [1,1,0,0,0,0|1,0,1]=4 2047 B9R0.43 CCC(CC)CNC(C)C 2230a_100138425928_100011215472 [1,1,0,0,0,0|1,0,1]=4 2048 B9R0.43 CCC(CC)CNC(C)C 34a_100138425928_100011215472 [1,1,0,0,0,0|1,0,1]=4 2049 B9R0.43 CCC(CC)COC(C)C 34a_100000212225_100011215472 [1,1,0,0,0,0|0,0,1]=3 2050 B9R0.43 CCC(CC)COC(C)C 7a_100000703878_100000210206 [1,1,0,0,0,0|0,0,1]=3 2051 B9R0.43 CCC(CC)CSC(C)C 62a_100000210206_100011215472 [1,1,0,0,0,0|0,1,1]=4 2052 B9R0.43 CCC(CC)CSC(C)C 62a_100011215472_100000210206 [1,1,0,0,0,0|0,1,1]=4 2053 B9R0.43 CCC(CC)NCC(C)C 2230a_100000199018_100000210760 [1,1,0,0,0,0|2,0,0]=4 2054 B9R0.43 CCC(CC)NCC(C)C 270004a_100000199018_100000210432 [1,1,0,0,0,0|2,0,0]=4 2055 B9R0.43 CCC(CC)NCC(C)C 270004a_100000210953_100000210860 [1,1,0,0,0,0|2,0,0]=4 2056 B9R0.43 CCC(CC)NCC(C)O 2230a_100000199018_100011218427 [1,1,0,0,0,0|2,0,0]=4 2057 B9R0.43 CCC(CC)NCC(C)O 270004a_100000210904_100000210860 [1,1,0,0,0,0|2,0,0]=4 2058 B9R0.43 CCC(CC)NC[C@@H](C)O 2230a_100000199018_100009817552 [1,1,0,0,0,0|2,0,0]=4 2059 B9R0.43 CCC(CC)OCC(C)C 7a_100000688536_100000210760 [1,1,0,0,0,0|2,0,0]=4 2060 B9R0.43 CCC(CC)OCC(C)O 7a_100000688536_100011218427 [1,1,0,0,0,0|2,0,0]=4 2061 B9R0.43 CCC(CC)OC[C@@H](C)O 7a_100000688536_100009817552 [1,1,0,0,0,0|2,0,0]=4 2062 B9R0.43 CCC(CC)SCC(C)C 62a_100000210505_100000210760 [1,1,0,0,0,0|2,0,0]=4 2063 B9R0.43 CCC(CC)SCC(C)C 62a_100000210624_100000210505 [1,1,0,0,0,0|2,0,0]=4 2064 B9R0.43 CCC(CC)SCC(C)O 62a_100000210505_100011218427 [1,1,0,0,0,0|2,0,0]=4 2065 B9R0.43 CCC(CC)SCC(C)O 62a_100011218427_100000210505 [1,1,0,0,0,0|2,0,0]=4 2066 B9R0.43 CCC(CC)SC[C@@H](C)O 62a_100000210505_100009817552 [1,1,0,0,0,0|2,0,0]=4 2067 B9R0.43 CCC(CC)SC[C@@H](C)O 62a_100009817552_100000210505 [1,1,0,0,0,0|2,0,0]=4 2068 B9R0.43 CCC(COC(C)C)OC 34a_100011934954_100000210206 [1,1,0,0,0,0|1,0,1]=4 2069 B9R0.43 CCC(COC(C)C)OC 7a_100011934954_100000210206 [1,1,0,0,0,0|1,0,1]=4 2070 B9R0.43 CCN(CC)COC(C)C 2230a_100000724800_100000709892 [1,1,0,0,0,0|1,0,1]=4 2071 B9R0.43 CCN(CC)COC(C)C 269956a_100000042499_100000709892 [1,1,0,0,0,0|1,0,1]=4 2072 B9R0.43 CCN(CC)COC(C)C 269982a_100000724800_100000709892 [1,1,0,0,0,0|1,0,1]=4 2073 B9R0.43 CCN(CC)COC(C)C 7a_200015374951_100000210206 [1,1,0,0,0,0|1,0,1]=4 2074 B9R0.50 C#CCOCC(CC)CC 34a_100000210247_100011215472 [1,1,0,0,0,0|0,0,2]=4 2075 B9R0.50 C#CCOCC(CC)CC 7a_100000703878_100000038162 [1,1,0,0,0,0|0,0,2]=4 2076 B9R0.50 C=CCOCC(CC)CC 34a_200000210373_100011215472 [1,1,0,0,0,0|0,0,2]=4 2077 B9R0.50 C=CCOCC(CC)CC 7a_100000703878_100015514636 [1,1,0,0,0,0|0,0,2]=4 2078 B9R0.50 CC/C=C\CN(CC)CC 2230a_100000724800_100103147603 [1,1,0,0,0,0|2,0,0]=4 2079 B9R0.50 CC/C=C\CN(CC)CC 269956a_100000042499_100103147603 [1,1,0,0,0,0|2,0,0]=4 2080 B9R0.50 CC/C=C\CN(CC)CC 269982a_100000724800_100103147603 [1,1,0,0,0,0|2,0,0]=4 2081 B9R0.50 CCC(CC)CNCCF 2230a_100102946423_100011217306 [1,1,0,0,0,0|1,0,1]=4 2082 B9R0.50 CCC(CC)CNCCF 269862a_100000724931_100000211137 [1,1,0,0,0,0|1,0,1]=4 2083 B9R0.50 CCC(CC)CNCCF 34a_100000724931_100011215472 [1,1,0,0,0,0|1,0,1]=4 2084 B9R0.50 CCC(CC)CNCCO 2230a_100016997473_100011215472 [1,1,0,0,0,0|1,0,1]=4 2085 B9R0.50 CCC(CC)CNCCO 2230a_100102946423_100000211926 [1,1,0,0,0,0|1,0,1]=4 2086 B9R0.50 CCC(CC)CNCCO 269862a_100000210304_100000211137 [1,1,0,0,0,0|1,0,1]=4 2087 B9R0.50 CCC(CC)CNCCO 270004a_100000210304_100000211137 [1,1,0,0,0,0|1,0,1]=4 2088 B9R0.50 CCC(CC)CNCCO 34a_100016990907_100011215472 [1,1,0,0,0,0|1,0,1]=4 2089 B9R0.50 CCC(CC)CNCOC 2230a_100102946423_100000766300 [1,1,0,0,0,0|1,0,1]=4 2090 B9R0.50 CCC(CC)CNCSC 2230a_100102946423_100011218213 [1,1,0,0,0,0|1,0,1]=4 2091 B9R0.50 CCC(CC)COCC#N 7a_100000703878_100011215382 [1,1,0,0,0,0|0,0,2]=4 2092 B9R0.50 CCC(CC)COCC=O 7a_100000703878_200015260668 [1,1,0,0,0,0|0,0,2]=4 2093 B9R0.50 CCC(CC)COCCBr 34a_100000211926_100011215472 [1,1,0,0,0,0|0,0,1]=3 2094 B9R0.50 CCC(CC)COCCF 7a_100000703878_100011217306 [1,1,0,0,0,0|0,0,1]=3 2095 B9R0.50 CCC(CC)COCCN 34a_100000210304_100011215472 [1,1,0,0,0,0|0,0,1]=3 2096 B9R0.50 CCC(CC)COCCO 7a_100000703878_100000211926 [1,1,0,0,0,0|0,0,1]=3 2097 B9R0.50 CCC(CC)CSCCF 62a_100011215472_100011217306 [1,1,0,0,0,0|0,1,1]=4 2098 B9R0.50 CCC(CC)CSCCF 62a_100011217306_100011215472 [1,1,0,0,0,0|0,1,1]=4 2099 B9R0.50 CCC(CC)CSCCO 62a_100000211926_100011215472 [1,1,0,0,0,0|0,1,1]=4 2100 B9R0.50 CCC(CC)CSCCO 62a_100011215472_100000211926 [1,1,0,0,0,0|0,1,1]=4 2101 B9R0.50 CCC(CC)CSCOC 62a_100000766300_100011215472 [1,1,0,0,0,0|0,1,1]=4 2102 B9R0.50 CCC(CC)CSCOC 62a_100011215472_100000766300 [1,1,0,0,0,0|0,1,1]=4 2103 B9R0.50 CCC(CC)CSCSC 62a_100011215472_100011218213 [1,1,0,0,0,0|0,1,1]=4 2104 B9R0.50 CCC(CC)CSCSC 62a_100011218213_100011215472 [1,1,0,0,0,0|0,1,1]=4 2105 B9R0.50 CCC(CC)NCCCF 2230a_100000199018_100011934791 [1,1,0,0,0,0|2,0,0]=4 2106 B9R0.50 CCC(CC)NCCCF 270004a_100015189416_100000210860 [1,1,0,0,0,0|2,0,0]=4 2107 B9R0.50 CCC(CC)NCCCO 2230a_100000199018_100000230001 [1,1,0,0,0,0|2,0,0]=4 2108 B9R0.50 CCC(CC)NCCCO 270004a_100000182051_100000210860 [1,1,0,0,0,0|2,0,0]=4 2109 B9R0.50 CCC(CC)NCCOC 2230a_100000199018_100011201679 [1,1,0,0,0,0|2,0,0]=4 2110 B9R0.50 CCC(CC)NCCOC 270004a_100000209980_100000210860 [1,1,0,0,0,0|2,0,0]=4 2111 B9R0.50 CCC(CC)NCCSC 2230a_100000199018_100000751147 [1,1,0,0,0,0|2,0,0]=4 2112 B9R0.50 CCC(CC)NCCSC 270004a_100020590264_100000210860 [1,1,0,0,0,0|2,0,0]=4 2113 B9R0.50 CCC(CC)OCCCF 7a_100000688536_100011934791 [1,1,0,0,0,0|2,0,0]=4 2114 B9R0.50 CCC(CC)OCCCO 7a_100000688536_100011215043 [1,1,0,0,0,0|2,0,0]=4 2115 B9R0.50 CCC(CC)OCCOC 7a_100000688536_100000233755 [1,1,0,0,0,0|2,0,0]=4 2116 B9R0.50 CCC(CC)OCCSC 7a_100000230434_100000210505 [1,1,0,0,0,0|2,0,0]=4 2117 B9R0.50 CCC(CC)OCCSC 7a_100000688536_100000212216 [1,1,0,0,0,0|2,0,0]=4 2118 B9R0.50 CCC(CC)SCCCF 62a_100000210505_100011934791 [1,1,0,0,0,0|2,0,0]=4 2119 B9R0.50 CCC(CC)SCCCF 62a_100011934791_100000210505 [1,1,0,0,0,0|2,0,0]=4 2120 B9R0.50 CCC(CC)SCCCO 62a_100000210505_100011215043 [1,1,0,0,0,0|2,0,0]=4 2121 B9R0.50 CCC(CC)SCCCO 62a_100011215043_100000210505 [1,1,0,0,0,0|2,0,0]=4 2122 B9R0.50 CCC(CC)SCCOC 62a_100000210505_100000233755 [1,1,0,0,0,0|2,0,0]=4 2123 B9R0.50 CCC(CC)SCCOC 62a_100000233755_100000210505 [1,1,0,0,0,0|2,0,0]=4 2124 B9R0.50 CCC(CC)SCCSC 62a_100000210505_100000751147 [1,1,0,0,0,0|2,0,0]=4 2125 B9R0.50 CCC(CC)SCCSC 62a_100000212216_100000210505 [1,1,0,0,0,0|2,0,0]=4 2126 B9R0.50 CCC(COCCF)OC 34a_100011934954_100011217306 [1,1,0,0,0,0|1,0,1]=4 2127 B9R0.50 CCC(COCCF)OC 7a_100011934954_100011217306 [1,1,0,0,0,0|1,0,1]=4 2128 B9R0.50 CCC(COCCO)OC 34a_100011934954_100000211926 [1,1,0,0,0,0|1,0,1]=4 2129 B9R0.50 CCC(COCCO)OC 7a_100011934954_100000211926 [1,1,0,0,0,0|1,0,1]=4 2130 B9R0.50 CCC(COCSC)OC 34a_100011934954_100011218213 [1,1,0,0,0,0|1,0,1]=4 2131 B9R0.50 CCC=NNC(CC)CC 4a_100000756293_100000210100 [1,1,0,0,0,0|2,0,0]=4 2132 B9R0.50 CCCCNC(CC)CC 2230a_100000199018_100000210211 [1,1,0,0,0,0|1,0,1]=4 2133 B9R0.50 CCCCNC(CC)CC 270004a_100000102301_100000210860 [1,1,0,0,0,0|1,0,1]=4 2134 B9R0.50 CCCCNC(CC)CC 7a_106832991798_100000210505 [1,1,0,0,0,0|1,0,1]=4 2135 B9R0.50 CCCCOC(CC)CC 7a_100000210227_100000210505 [1,1,0,0,0,0|1,0,1]=4 2136 B9R0.50 CCCCOC(CC)CC 7a_100000688536_100000210211 [1,1,0,0,0,0|1,0,1]=4 2137 B9R0.50 CCCCSC(CC)CC 62a_100000210211_100000210505 [1,1,0,0,0,0|1,0,1]=4 2138 B9R0.50 CCCCSC(CC)CC 62a_100000210505_100000210210 [1,1,0,0,0,0|1,0,1]=4 2139 B9R0.50 CCCNCC(CC)CC 2230a_100102946423_100000210303 [1,1,0,0,0,0|1,0,1]=4 2140 B9R0.50 CCCNCC(CC)CC 269862a_100020643023_100000211137 [1,1,0,0,0,0|1,0,1]=4 2141 B9R0.50 CCCNCC(CC)CC 270004a_100020643023_100000211137 [1,1,0,0,0,0|1,0,1]=4 2142 B9R0.50 CCCOCC(CC)CC 34a_100000210258_100011215472 [1,1,0,0,0,0|0,0,1]=3 2143 B9R0.50 CCCOCC(CC)CC 7a_100000703878_100000210303 [1,1,0,0,0,0|0,0,1]=3 2144 B9R0.50 CCCOCC(CC)OC 34a_100011934954_100000210303 [1,1,0,0,0,0|1,0,1]=4 2145 B9R0.50 CCCOCC(CC)OC 7a_100011934954_100000210303 [1,1,0,0,0,0|1,0,1]=4 2146 B9R0.50 CCCOCN(CC)CC 7a_200015374951_100000210303 [1,1,0,0,0,0|1,0,1]=4 2147 B9R0.50 CCCSCC(CC)CC 62a_100000210303_100011215472 [1,1,0,0,0,0|0,1,1]=4 2148 B9R0.50 CCCSCC(CC)CC 62a_100011215472_100000210303 [1,1,0,0,0,0|0,1,1]=4 2149 B9R0.50 CCN(CC)COCCF 7a_200015374951_100011217306 [1,1,0,0,0,0|1,0,1]=4 2150 B9R0.50 CCN(CC)COCCO 7a_200015374951_100000211926 [1,1,0,0,0,0|1,0,1]=4 2151 B9R0.50 CCNN=CC(CC)CC 4a_100000756455_100000211137 [1,1,0,0,0,0|1,0,0]=3 2152 B9R0.50 CCOCCN(CC)CC 2230a_100000724800_100011215890 [1,1,0,0,0,0|1,0,1]=4 2153 B9R0.50 CCOCCN(CC)CC 269956a_100000042499_100000210147 [1,1,0,0,0,0|1,0,1]=4 2154 B9R0.50 CCOCCN(CC)CC 269982a_100000724800_100011215890 [1,1,0,0,0,0|1,0,1]=4 2155 B9R0.50 CCOCCN(CC)CC 7a_100016990331_100000210202 [1,1,0,0,0,0|1,0,1]=4 2156 B9R0.50 CCOCSC(CC)CC 62a_100000210505_100000739092 [1,1,0,0,0,0|0,0,1]=3 2157 B9R0.50 CCOCSC(CC)CC 62a_100000739092_100000210505 [1,1,0,0,0,0|0,0,1]=3 2158 B9R0.67 CCCOC(C)(CC)CC 7a_100000755174_100000210303 [1,1,0,0,0,0|2,0,0]=4 2159 B9R0.67 CCCSC(C)(CC)CC 62a_100000210303_100009817345 [1,1,0,0,0,0|2,0,0]=4 2160 B9R0.67 CCCSC(C)(CC)CC 62a_100009817345_100000210303 [1,1,0,0,0,0|2,0,0]=4 2161 B9R0.29 CCC(=O)C(CC)C(=O)N 1458a_100000210414_100000750255 [1,1,0,0,0,0|1,0,1]=4 2162 B9R0.29 CCC(=O)C(CC)N(C)C 1458a_100000689100_100000210202 [1,1,0,0,0,0|1,0,0]=3 2163 B9R0.29 CCC(=O)N(CC)C(C)C 11a_100000223864_100000210414 [1,1,0,0,0,0|1,0,0]=3 2164 B9R0.29 CCC(=O)N(CC)C(C)C 1626a_100000223864_100000210414 [1,1,0,0,0,0|1,0,0]=3 2165 B9R0.29 CCC(=O)N(CC)C(C)C 240690a_100000223864_100000210414 [1,1,0,0,0,0|1,0,0]=3 2166 B9R0.29 CCC(=O)N(CC)C(C)C 527a_100000223864_100000210414 [1,1,0,0,0,0|1,0,0]=3 2167 B9R0.29 CCC(C(=O)C)C(=O)OC 1458a_100000070787_100000235869 [1,1,0,0,0,0|0,0,1]=3 2168 B9R0.29 CCC(C(=O)CF)N(C)C 1458a_100000689100_100015361967 [1,1,0,0,0,0|2,0,0]=4 2169 B9R0.29 CCC(C(=O)NC)N(C)C 240690a_100102657272_100000689100 [1,1,0,0,0,0|2,0,0]=4 2170 B9R0.29 CCC(C(=O)NC)N(C)C 527a_100102657272_100000689100 [1,1,0,0,0,0|2,0,0]=4 2171 B9R0.29 CCC(C(=O)OC)N(C)C 2230a_100000709176_200000210301 [1,1,0,0,0,0|1,0,0]=3 2172 B9R0.29 CCC(C(=O)OC)N(C)C 2230a_100102631434_100000235869 [1,1,0,0,0,0|1,0,0]=3 2173 B9R0.29 CCC(C(=O)OC)N(C)C 269982a_100000709176_200000210301 [1,1,0,0,0,0|1,0,0]=3 2174 B9R0.29 CCC(C(=O)OC)N(C)C 269982a_100102631434_100000235869 [1,1,0,0,0,0|1,0,0]=3 2175 B9R0.29 CCC(C(=O)OC)N(C)[13CH3] 2230a_100000709176_200025704644 [1,1,0,0,0,0|1,0,0]=3 2176 B9R0.29 CCC(C(=O)OC)N(C)[13CH3] 269982a_100000709176_200025704644 [1,1,0,0,0,0|1,0,0]=3 2177 B9R0.29 CCN(C(=O)CO)C(C)C 240690a_100000223864_100000210174 [1,1,0,0,0,0|2,0,0]=4 2178 B9R0.29 CCN(C(=O)CO)C(C)C 527a_100000223864_100000210174 [1,1,0,0,0,0|2,0,0]=4 2179 B9R0.29 CCN(C(=O)NC)C(C)C 2708a_100102657272_100000223864 [1,1,0,0,0,0|2,0,0]=4 2180 B9R0.29 CCN(C(=O)NC)C(C)C 273464a_100102657272_100000223864 [1,1,0,0,0,0|2,0,0]=4 2181 B9R0.29 CNC(=O)C(NC)C(C)C 2230a_100000690981_200000210301 [1,1,0,0,0,0|2,0,0]=4 2182 B9R0.29 CNC(=O)C(NC)C(C)C 34a_100000690981_200000210301 [1,1,0,0,0,0|2,0,0]=4 2183 B9R0.29 CNC(=O)C(N[13CH3])C(C)C 2230a_100000690981_200025704644 [1,1,0,0,0,0|2,0,0]=4 2184 B9R0.29 CNC(=O)C(N[13CH3])C(C)C 34a_100000690981_200025704644 [1,1,0,0,0,0|2,0,0]=4 2185 B9R0.29 CNC(=O)[C@@H](NC)[C@@H](C)O 2230a_100102634413_200000210301 [1,1,0,0,0,0|2,0,0]=4 2186 B9R0.29 CNC(=O)[C@@H](NC)[C@@H](C)O 34a_100102634413_200000210301 [1,1,0,0,0,0|2,0,0]=4 2187 B9R0.29 CNC(=O)[C@@H](N[13CH3])[C@@H](C)O 2230a_100102634413_200025704644 [1,1,0,0,0,0|2,0,0]=4 2188 B9R0.29 CNC(=O)[C@@H](N[13CH3])[C@@H](C)O 34a_100102634413_200025704644 [1,1,0,0,0,0|2,0,0]=4 2189 B9R0.29 CNC(C(=O)OC)C(C)C 2230a_106832991635_100000736125 [1,1,0,0,0,0|1,0,0]=3 2190 B9R0.29 CNC(C(=O)OC)C(C)C 34a_100102657272_100000736125 [1,1,0,0,0,0|1,0,0]=3 2191 B9R0.29 CNC(C(=O)OC)C(C)C 7a_106832991635_100000736125 [1,1,0,0,0,0|1,0,0]=3 2192 B9R0.29 COC(=O)C(CO)C(=O)C 1458a_100000070787_100012276630 [1,1,0,0,0,0|1,0,1]=4 2193 B9R0.29 COC(=O)C(OC)C(C)C 34a_100138415774_100000736125 [1,1,0,0,0,0|1,0,0]=3 2194 B9R0.29 COC(=O)C(SC)C(=O)C 62a_100011215331_200000210301 [1,1,0,0,0,0|1,0,1]=4 2195 B9R0.29 COC(=O)C(SC)C(=O)C 62a_200000210301_100011215331 [1,1,0,0,0,0|1,0,1]=4 2196 B9R0.29 COC(=O)C(SC)C(C)C 62a_100000736125_200000210301 [1,1,0,0,0,0|1,0,0]=3 2197 B9R0.29 COC(=O)C(SC)C(C)C 62a_200000210301_100000736125 [1,1,0,0,0,0|1,0,0]=3 2198 B9R0.29 COC(=O)C(S[13CH3])C(=O)C 62a_100011215331_200025704644 [1,1,0,0,0,0|1,0,1]=4 2199 B9R0.29 COC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100011215331 [1,1,0,0,0,0|1,0,1]=4 2200 B9R0.29 COC(=O)C(S[13CH3])C(C)C 62a_100000736125_200025704644 [1,1,0,0,0,0|1,0,0]=3 2201 B9R0.29 COC(=O)C(S[13CH3])C(C)C 62a_200025704644_100000736125 [1,1,0,0,0,0|1,0,0]=3 2202 B9R0.29 COC(=O)[C@H](OC)C(C)C 34a_100009883636_200000210301 [1,1,0,0,0,0|1,0,0]=3 2203 B9R0.29 COC(=O)[C@H](OC)C(C)C 7a_100009883636_200000210301 [1,1,0,0,0,0|1,0,0]=3 2204 B9R0.29 COC(=O)[C@H](O[13CH3])C(C)C 34a_100009883636_200025704644 [1,1,0,0,0,0|1,0,0]=3 2205 B9R0.29 COC(=O)[C@H](O[13CH3])C(C)C 7a_100009883636_200025704644 [1,1,0,0,0,0|1,0,0]=3 2206 B9R0.36 CCC(CC)C(CC)OC 34a_200011216187_200000210301 [1,1,0,0,0,0|0,0,2]=4 2207 B9R0.36 CCC(CC)C(CC)OC 7a_200011216187_200000210301 [1,1,0,0,0,0|0,0,2]=4 2208 B9R0.36 CCC(CC)C(CC)O[13CH3] 34a_200011216187_200025704644 [1,1,0,0,0,0|0,0,2]=4 2209 B9R0.36 CCC(CC)C(CC)O[13CH3] 7a_200011216187_200025704644 [1,1,0,0,0,0|0,0,2]=4 2210 B9R0.36 CCC(CC)N(CC)CC 2230a_100000732065_100000210202 [1,1,0,0,0,0|2,0,0]=4 2211 B9R0.36 CCC(CC)N(CC)CC 269956a_100000042499_100000210505 [1,1,0,0,0,0|2,0,0]=4 2212 B9R0.36 CCC(CC)N(CC)CC 269982a_100000724800_100000210505 [1,1,0,0,0,0|2,0,0]=4 2213 B9R0.36 CCC(CC)N(CC)CC 269982a_100000732065_100000204670 [1,1,0,0,0,0|2,0,0]=4 2214 B9R0.36 CCC(CC)N(CC)CC 270004a_100000724800_100000210860 [1,1,0,0,0,0|2,0,0]=4 2215 B9R0.36 CCC(CC)N(CC)CF 269982a_100000732065_100015361967 [1,1,0,0,0,0|2,0,0]=4 2216 B9R0.41 C=C(C)C(=O)C(CC)CC 1458a_100000185857_100000210505 [1,1,0,0,0,0|0,0,1]=3 2217 B9R0.41 C=C(C)C(=O)N(CC)CC 11a_100000724800_100000185857 [1,1,0,0,0,0|1,0,1]=4 2218 B9R0.41 C=C(C)C(=O)N(CC)CC 1626a_100000724800_100000185857 [1,1,0,0,0,0|1,0,1]=4 2219 B9R0.41 CCC(CC)C(=O)C(C)C 1458a_100000210198_100000210505 [1,1,0,0,0,0|0,0,0]=2 2220 B9R0.41 CCC(CC)C(=O)C(C)C 1458a_100000211163_100000210206 [1,1,0,0,0,0|0,0,0]=2 2221 B9R0.41 CCC(CC)C(=O)C(C)F 1458a_100000062450_100000210505 [1,1,0,0,0,0|0,0,0]=2 2222 B9R0.41 CCC(CC)C(=O)C(O)O 1458a_100000233687_100000210505 [1,1,0,0,0,0|1,0,0]=3 2223 B9R0.41 CCC(CC)C(=O)N(C)C 11a_100102631434_100000211163 [1,1,0,0,0,0|1,0,0]=3 2224 B9R0.41 CCC(CC)C(=O)N(C)C 1626a_100102631434_100000211163 [1,1,0,0,0,0|1,0,0]=3 2225 B9R0.41 CCC(CC)C(=O)N(C)C 240690a_100102631434_100000211163 [1,1,0,0,0,0|1,0,0]=3 2226 B9R0.41 CCC(CC)C(=O)N(C)C 527a_100102631434_100000211163 [1,1,0,0,0,0|1,0,0]=3 2227 B9R0.41 CCC(CC)C(=O)[C@@H](C)O 1458a_100000717761_100000210505 [1,1,0,0,0,0|0,0,0]=2 2228 B9R0.41 CCC(CC)C(=O)[C@H](C)O 1458a_217856618621_100000210505 [1,1,0,0,0,0|0,0,0]=2 2229 B9R0.41 CCC(CC)N(C)C(C)C 2230a_100000737045_100000210206 [1,1,0,0,0,0|2,0,0]=4 2230 B9R0.41 CCC(CC)N(C)C(C)C 269982a_100000737045_100000210206 [1,1,0,0,0,0|2,0,0]=4 2231 B9R0.41 CCC(CC)N(C)C(C)C 269982a_200000211004_100000210505 [1,1,0,0,0,0|2,0,0]=4 2232 B9R0.41 CCC(CC)N(C)C(C)C 270004a_200000211004_100000210860 [1,1,0,0,0,0|2,0,0]=4 2233 B9R0.41 CCC(NC)C(=O)N(C)C 2230a_106832991635_100011763435 [1,1,0,0,0,0|2,0,0]=4 2234 B9R0.41 CCC(NC)C(=O)N(C)C 34a_100102657272_100011763435 [1,1,0,0,0,0|2,0,0]=4 2235 B9R0.41 CCC(NC)C(=O)N(C)C 7a_106832991635_100011763435 [1,1,0,0,0,0|2,0,0]=4 2236 B9R0.41 CCC(OC)C(=O)C(C)C 1458a_100000747056_100000210206 [1,1,0,0,0,0|1,0,0]=3 2237 B9R0.41 CCC(OC)C(=O)N(C)C 11a_100102631434_100000747056 [1,1,0,0,0,0|2,0,0]=4 2238 B9R0.41 CCC(OC)C(=O)N(C)C 1626a_100102631434_100000747056 [1,1,0,0,0,0|2,0,0]=4 2239 B9R0.41 CCC(OC)C(=O)N(C)C 240690a_100102631434_100000747056 [1,1,0,0,0,0|2,0,0]=4 2240 B9R0.41 CCC(OC)C(=O)N(C)C 34a_100138415774_100011763435 [1,1,0,0,0,0|2,0,0]=4 2241 B9R0.41 CCC(OC)C(=O)N(C)C 527a_100102631434_100000747056 [1,1,0,0,0,0|2,0,0]=4 2242 B9R0.41 CCC(SC)C(=O)N(C)C 62a_100011763435_200000210301 [1,1,0,0,0,0|2,0,0]=4 2243 B9R0.41 CCC(SC)C(=O)N(C)C 62a_200000210301_100011763435 [1,1,0,0,0,0|2,0,0]=4 2244 B9R0.41 CCC(S[13CH3])C(=O)N(C)C 62a_100011763435_200025704644 [1,1,0,0,0,0|2,0,0]=4 2245 B9R0.41 CCC(S[13CH3])C(=O)N(C)C 62a_200025704644_100011763435 [1,1,0,0,0,0|2,0,0]=4 2246 B9R0.41 CCN(CC)C(=O)C(=O)C 1458a_200000187824_200000210301 [1,1,0,0,0,0|1,0,1]=4 2247 B9R0.41 CCN(CC)C(=O)C(=O)[13CH3] 1458a_200000187824_200025704644 [1,1,0,0,0,0|1,0,1]=4 2248 B9R0.41 CCN(CC)C(=O)C(C)C 11a_100000724800_100000210198 [1,1,0,0,0,0|1,0,0]=3 2249 B9R0.41 CCN(CC)C(=O)C(C)C 1626a_100000724800_100000210198 [1,1,0,0,0,0|1,0,0]=3 2250 B9R0.41 CCN(CC)C(=O)C(C)C 240690a_100000724800_100000210198 [1,1,0,0,0,0|1,0,0]=3 2251 B9R0.41 CCN(CC)C(=O)C(C)C 527a_100000724800_100000210198 [1,1,0,0,0,0|1,0,0]=3 2252 B9R0.41 CCN(CC)C(=O)C(C)F 11a_100000724800_100000062450 [1,1,0,0,0,0|1,0,0]=3 2253 B9R0.41 CCN(CC)C(=O)C(C)F 1626a_100000724800_100000062450 [1,1,0,0,0,0|1,0,0]=3 2254 B9R0.41 CCN(CC)C(=O)C(C)F 240690a_100000724800_100000062450 [1,1,0,0,0,0|1,0,0]=3 2255 B9R0.41 CCN(CC)C(=O)C(C)F 527a_100000724800_100000062450 [1,1,0,0,0,0|1,0,0]=3 2256 B9R0.41 CCN(CC)C(=O)C(F)F 11a_100000724800_100000210393 [1,1,0,0,0,0|2,0,0]=4 2257 B9R0.41 CCN(CC)C(=O)C(F)F 1626a_100000724800_100000210393 [1,1,0,0,0,0|2,0,0]=4 2258 B9R0.41 CCN(CC)C(=O)C(F)F 240690a_100000724800_100000210393 [1,1,0,0,0,0|2,0,0]=4 2259 B9R0.41 CCN(CC)C(=O)C(F)F 527a_100000724800_100000210393 [1,1,0,0,0,0|2,0,0]=4 2260 B9R0.41 CCN(CC)C(=O)C(O)O 240690a_100000724800_100000233687 [1,1,0,0,0,0|2,0,0]=4 2261 B9R0.41 CCN(CC)C(=O)[C@@H](C)O 240690a_100000724800_100000717761 [1,1,0,0,0,0|1,0,0]=3 2262 B9R0.41 CCN(CC)C(=O)[C@H](C)O 1626a_100000724800_217856618621 [1,1,0,0,0,0|1,0,0]=3 2263 B9R0.41 CCN(CC)C(=O)[C@H](C)O 240690a_100000724800_217856618621 [1,1,0,0,0,0|1,0,0]=3 2264 B9R0.41 CC[C@@H](NC)C(=O)N(C)C 2230a_100102699731_200000210301 [1,1,0,0,0,0|2,0,0]=4 2265 B9R0.41 CC[C@@H](NC)C(=O)N(C)C 34a_100102699731_200000210301 [1,1,0,0,0,0|2,0,0]=4 2266 B9R0.41 CC[C@@H](N[13CH3])C(=O)N(C)C 2230a_100102699731_200025704644 [1,1,0,0,0,0|2,0,0]=4 2267 B9R0.41 CC[C@@H](N[13CH3])C(=O)N(C)C 34a_100102699731_200025704644 [1,1,0,0,0,0|2,0,0]=4 2268 B9R0.41 COC(OC)C(=O)C(C)C 1458a_100000046285_100000210206 [1,1,0,0,0,0|2,0,0]=4 2269 B9R0.69 C#CC(=O)C(C)(CC)CC 1458a_100000211873_100009817345 [1,1,0,0,0,0|0,0,2]=4 2270 B9R0.69 C=CC(=O)C(C)(CC)CC 1458a_100000185746_100009817345 [1,1,0,0,0,0|0,0,2]=4 2271 B9R0.69 CCC(=O)C(C)(CC)CC 1458a_100000210414_100009817345 [1,1,0,0,0,0|0,0,0]=2 2272 B9R0.69 CCC(=O)C(C)(CC)CC 1458a_100000760562_100000210202 [1,1,0,0,0,0|0,0,0]=2 2273 B9R0.69 CCC(=O)C(C)(CO)CO 1458a_100000693232_100000210202 [1,1,0,0,0,0|2,0,0]=4 2274 B9R0.69 CCC(C)(CC)C(=O)CF 1458a_100000760562_100015361967 [1,1,0,0,0,0|1,0,0]=3 2275 B9R0.69 CCC(C)(CC)C(=O)CO 1458a_100000210174_100009817345 [1,1,0,0,0,0|1,0,0]=3 2276 B9R0.69 CCC(C)(CC)C(=O)NC 11a_106832991635_100000760562 [1,1,0,0,0,0|1,0,0]=3 2277 B9R0.69 CCC(C)(CC)C(=O)NC 1626a_100102657272_100000760562 [1,1,0,0,0,0|1,0,0]=3 2278 B9R0.69 CCC(C)(CC)C(=O)NC 240690a_100102657272_100000760562 [1,1,0,0,0,0|1,0,0]=3 2279 B9R0.69 CCC(C)(CC)C(=O)NC 527a_100102657272_100000760562 [1,1,0,0,0,0|1,0,0]=3 2280 B9R0.69 CCN(C)C(C)(CC)CC 269982a_100000225621_100009817345 [1,1,0,0,0,0|2,0,0]=4 2281 B9R0.71 CCN(CC)S(=O)(=O)CC 270084a_100000724800_100000211323 [1,1,0,0,0,0|2,0,0]=4 2282 B9R0.71 CCN(CC)S(=O)(=O)CC 274078a_100000724800_100000211323 [1,1,0,0,0,0|2,0,0]=4 2283 B9R0.71 CCN(CC)S(=O)(=O)CC 40a_100000724800_100000053943 [1,1,0,0,0,0|2,0,0]=4 2284 B11R0.19 CCC(CC)CC(=O)C=C(C)C 1458a_100000211388_100011215472 [0,1,0,0,0,1|1,0,1]=4 2285 B11R0.19 CCC(CC)CC(=O)C=C(C)Cl 1458a_200042562850_100011215472 [0,1,0,0,0,1|1,0,1]=4 2286 B11R0.19 CCC(CC)CC(=O)C=C(C)I 1458a_100025716642_100011215472 [0,1,0,0,0,1|1,0,1]=4 2287 B11R0.19 CCC(CC)CC(=O)CC(C)C 1458a_100000210554_100011215472 [0,1,0,0,0,1|1,0,0]=3 2288 B11R0.19 CCC(CC)CC(=O)CN(C)C 1458a_100000750896_100011215472 [0,1,0,0,0,1|2,0,0]=4 2289 B11R0.19 CCC(CC)CC(=O)C[C@@H](C)O 1458a_100011933948_100011215472 [0,1,0,0,0,1|1,0,0]=3 2290 B11R0.19 CCC(CC)CC(=O)C[S+](C)C 1458a_200159257847_100011215472 [0,1,0,0,0,1|2,0,0]=4 2291 B11R0.19 CCC(CC)NC(=O)C=C(C)C 11a_100000199018_100000211388 [0,1,0,0,0,1|1,0,1]=4 2292 B11R0.19 CCC(CC)NC(=O)C=C(C)C 1626a_100000199018_100000211388 [0,1,0,0,0,1|1,0,1]=4 2293 B11R0.19 CCC(CC)NC(=O)C=C(C)C 240690a_100000199018_100000211388 [0,1,0,0,0,1|1,0,1]=4 2294 B11R0.19 CCC(CC)NC(=O)C=C(C)Cl 11a_100000199018_200042562850 [0,1,0,0,0,1|1,0,1]=4 2295 B11R0.19 CCC(CC)NC(=O)C=C(C)Cl 1626a_100000199018_200042562850 [0,1,0,0,0,1|1,0,1]=4 2296 B11R0.19 CCC(CC)NC(=O)C=C(C)Cl 240690a_100000199018_200042562850 [0,1,0,0,0,1|1,0,1]=4 2297 B11R0.19 CCC(CC)NC(=O)C=C(C)I 11a_100000199018_100025716642 [0,1,0,0,0,1|1,0,1]=4 2298 B11R0.19 CCC(CC)NC(=O)C=C(C)I 1626a_100000199018_100025716642 [0,1,0,0,0,1|1,0,1]=4 2299 B11R0.19 CCC(CC)NC(=O)CC(C)C 11a_100000199018_100000210554 [0,1,0,0,0,1|1,0,0]=3 2300 B11R0.19 CCC(CC)NC(=O)CC(C)C 1626a_100000199018_100000210554 [0,1,0,0,0,1|1,0,0]=3 2301 B11R0.19 CCC(CC)NC(=O)CC(C)C 240690a_100000199018_100000210554 [0,1,0,0,0,1|1,0,0]=3 2302 B11R0.19 CCC(CC)NC(=O)CC(C)C 527a_100000199018_100000210554 [0,1,0,0,0,1|1,0,0]=3 2303 B11R0.19 CCC(CC)NC(=O)CN(C)C 11a_100000199018_100000750896 [0,1,0,0,0,1|2,0,0]=4 2304 B11R0.19 CCC(CC)NC(=O)CN(C)C 240690a_100000199018_100000750896 [0,1,0,0,0,1|2,0,0]=4 2305 B11R0.19 CCC(CC)NC(=O)CN(C)C 527a_100000199018_100000750896 [0,1,0,0,0,1|2,0,0]=4 2306 B11R0.19 CCC(CC)NC(=O)C[C@@H](C)O 240690a_100000199018_100011933948 [0,1,0,0,0,1|1,0,0]=3 2307 B11R0.19 CCC(CC)NC(=O)C[S+](C)C 11a_100000199018_200159257847 [0,1,0,0,0,1|2,0,0]=4 2308 B11R0.19 CCC(CC)NC(=O)C[S+](C)C 1626a_100000199018_200159257847 [0,1,0,0,0,1|2,0,0]=4 2309 B11R0.19 CCC(CC)NC(=O)C[S+](C)C 240690a_100000199018_200159257847 [0,1,0,0,0,1|2,0,0]=4 2310 B11R0.19 CCC(CC)NC(=O)C[S+](C)C 527a_100000199018_200159257847 [0,1,0,0,0,1|2,0,0]=4 2311 B11R0.19 CCC(CC)NC(=O)NC(C)C 2708a_100000199018_100138425928 [0,1,0,0,0,1|1,0,0]=3 2312 B11R0.19 CCC(CC)NC(=O)NC(C)C 2708a_100138425928_100000199018 [0,1,0,0,0,1|1,0,0]=3 2313 B11R0.19 CCC(CC)NC(=O)NC(C)C 273464a_100138425928_100000199018 [0,1,0,0,0,1|1,0,0]=3 2314 B11R0.19 CCC(CC)NC(=O)NC(C)C 512a_100000199018_100138425928 [0,1,0,0,0,1|1,0,0]=3 2315 B11R0.19 CCC(CC)NC(=O)NC(C)C 512a_100138425928_100000199018 [0,1,0,0,0,1|1,0,0]=3 2316 B11R0.19 CCN(CC)CC(=O)CC(C)C 1458a_100000758533_100000210624 [0,1,0,0,0,1|2,0,0]=4 2317 B11R0.19 CCN(CC)CC(=O)CC(C)O 1458a_100000758533_100011218427 [0,1,0,0,0,1|2,0,0]=4 2318 B11R0.19 CCN(CC)CC(=O)NC(C)C 11a_100138425928_100000758533 [0,1,0,0,0,1|2,0,0]=4 2319 B11R0.19 CCN(CC)CC(=O)NC(C)C 1626a_100138425928_100000758533 [0,1,0,0,0,1|2,0,0]=4 2320 B11R0.19 CCN(CC)CC(=O)NC(C)C 2230a_100000724800_100000183996 [0,1,0,0,0,1|2,0,0]=4 2321 B11R0.19 CCN(CC)CC(=O)NC(C)C 240690a_100138425928_100000758533 [0,1,0,0,0,1|2,0,0]=4 2322 B11R0.19 CCN(CC)CC(=O)NC(C)C 269956a_100000042499_100000183996 [0,1,0,0,0,1|2,0,0]=4 2323 B11R0.19 CCN(CC)CC(=O)NC(C)C 269982a_100000724800_100000183996 [0,1,0,0,0,1|2,0,0]=4 2324 B11R0.19 CCN(CC)CC(=O)NC(C)C 527a_100138425928_100000758533 [0,1,0,0,0,1|2,0,0]=4 2325 B11R0.19 CCN(CC)CC(=O)OC(C)C 2230a_100000724800_100011215430 [0,1,0,0,0,1|1,0,0]=3 2326 B11R0.19 CCN(CC)CC(=O)OC(C)C 269956a_100000042499_100011215430 [0,1,0,0,0,1|1,0,0]=3 2327 B11R0.19 CCN(CC)CC(=O)OC(C)C 269982a_100000724800_100011215430 [0,1,0,0,0,1|1,0,0]=3 2328 B11R0.19 CC[C@@H](CO)NC(=O)CC(C)C 240690a_100000709445_100000210554 [0,1,0,0,0,1|2,0,0]=4 2329 B11R0.19 CC[C@@H](CO)NC(=O)CC(C)C 527a_100000709445_100000210554 [0,1,0,0,0,1|2,0,0]=4 2330 B11R0.19 CC[C@@H](CO)NC(=O)C[C@@H](C)O 240690a_100000709445_100011933948 [0,1,0,0,0,1|2,0,0]=4 2331 B11R0.19 CC[C@@H](CO)NC(=O)NC(C)C 2708a_100138425928_100000709445 [0,1,0,0,0,1|2,0,0]=4 2332 B11R0.19 CC[C@@H](CO)NC(=O)NC(C)C 273464a_100138425928_100000709445 [0,1,0,0,0,1|2,0,0]=4 2333 B11R0.19 CC[C@@H](CO)NC(=O)NC(C)C 512a_100000709445_100138425928 [0,1,0,0,0,1|2,0,0]=4 2334 B11R0.19 CC[C@@H](CO)NC(=O)NC(C)C 512a_100138425928_100000709445 [0,1,0,0,0,1|2,0,0]=4 2335 B11R0.55 CC=CC(=O)NC(CC)C(C)C 11a_100000745074_100000210699 [0,1,0,0,0,1|1,0,1]=4 2336 B11R0.55 CC=CC(=O)NC(CC)C(C)C 1626a_100000745074_100000210699 [0,1,0,0,0,1|1,0,1]=4 2337 B11R0.55 CC=CC(=O)NC(CC)C(C)C 240690a_100000745074_100000210699 [0,1,0,0,0,1|1,0,1]=4 2338 B11R0.55 CC=CC(=O)N[C@@H](CC)[C@@H](C)O 11a_100161114882_100000210699 [0,1,0,0,0,1|1,0,1]=4 2339 B11R0.55 CC=CC(=O)N[C@@H](CC)[C@@H](C)O 1626a_100161114882_100000210699 [0,1,0,0,0,1|1,0,1]=4 2340 B11R0.55 CC=CC(=O)N[C@@H](CC)[C@@H](C)O 240690a_100161114882_100000210699 [0,1,0,0,0,1|1,0,1]=4 2341 B11R0.55 CCC(NC(=O)CCO)C(C)C 240690a_100000745074_100011216618 [0,1,0,0,0,1|2,0,0]=4 2342 B11R0.55 CCC(NC(=O)COC)C(C)C 11a_100000745074_100000210968 [0,1,0,0,0,1|2,0,0]=4 2343 B11R0.55 CCC(NC(=O)COC)C(C)C 1626a_100000745074_100000210968 [0,1,0,0,0,1|2,0,0]=4 2344 B11R0.55 CCC(NC(=O)COC)C(C)C 240690a_100000745074_100000210968 [0,1,0,0,0,1|2,0,0]=4 2345 B11R0.55 CCC(NC(=O)COC)C(C)C 527a_100000745074_100000210968 [0,1,0,0,0,1|2,0,0]=4 2346 B11R0.55 CCC(NC(=O)CSC)C(C)C 11a_100000745074_100000184570 [0,1,0,0,0,1|2,0,0]=4 2347 B11R0.55 CCC(NC(=O)CSC)C(C)C 1626a_100000745074_100000184570 [0,1,0,0,0,1|2,0,0]=4 2348 B11R0.55 CCC(NC(=O)CSC)C(C)C 240690a_100000745074_100000184570 [0,1,0,0,0,1|2,0,0]=4 2349 B11R0.55 CCC(NC(=O)CSC)C(C)C 527a_100000745074_100000184570 [0,1,0,0,0,1|2,0,0]=4 2350 B11R0.55 CCC(NC(=O)NNC)C(C)C 273464a_100000745074_100016993582 [0,1,0,0,0,1|2,0,0]=4 2351 B11R0.55 CCC(NC(=O)NNC)C(C)C 512a_100000745074_100016993582 [0,1,0,0,0,1|2,0,0]=4 2352 B11R0.55 CCC(NC(=O)NNC)C(C)C 512a_100016993582_100000745074 [0,1,0,0,0,1|2,0,0]=4 2353 B11R0.55 CCCC(=O)CN(CC)C(C)C 2230a_100000223864_100000747444 [0,1,0,0,0,1|2,0,0]=4 2354 B11R0.55 CCCC(=O)CN(CC)C(C)C 269982a_100000223864_100000747444 [0,1,0,0,0,1|2,0,0]=4 2355 B11R0.55 CCCC(=O)NC(CC)C(C)C 11a_100000745074_100000211992 [0,1,0,0,0,1|1,0,0]=3 2356 B11R0.55 CCCC(=O)NC(CC)C(C)C 1626a_100000745074_100000211992 [0,1,0,0,0,1|1,0,0]=3 2357 B11R0.55 CCCC(=O)NC(CC)C(C)C 240690a_100000745074_100000211992 [0,1,0,0,0,1|1,0,0]=3 2358 B11R0.55 CCCC(=O)NC(CC)C(C)C 527a_100000745074_100000211992 [0,1,0,0,0,1|1,0,0]=3 2359 B11R0.55 CCCC(=O)N[C@@H](CC)[C@@H](C)O 11a_100161114882_100000211992 [0,1,0,0,0,1|1,0,0]=3 2360 B11R0.55 CCCC(=O)N[C@@H](CC)[C@@H](C)O 1626a_100161114882_100000211992 [0,1,0,0,0,1|1,0,0]=3 2361 B11R0.55 CCCC(=O)N[C@@H](CC)[C@@H](C)O 240690a_100161114882_100000211992 [0,1,0,0,0,1|1,0,0]=3 2362 B11R0.55 CCCC(=O)N[C@@H](CC)[C@@H](C)O 527a_100161114882_100000211992 [0,1,0,0,0,1|1,0,0]=3 2363 B11R0.55 CCCC(=O)N[C@@H](CO)C(C)C 240690a_100011830312_100000211992 [0,1,0,0,0,1|2,0,0]=4 2364 B11R0.55 CCCC(=O)N[C@@H](CO)C(C)C 527a_100011830312_100000211992 [0,1,0,0,0,1|2,0,0]=4 2365 B11R0.55 CCCC(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100000211992 [0,1,0,0,0,1|2,0,0]=4 2366 B11R0.55 CCCC(=O)N[C@H](CO)[C@@H](C)O 527a_100015196842_100000211992 [0,1,0,0,0,1|2,0,0]=4 2367 B11R0.55 CCNC(=O)CN(CC)C(C)C 2230a_100000223864_100000183381 [0,1,0,0,0,1|2,0,0]=4 2368 B11R0.55 CCNC(=O)CN(CC)C(C)C 269982a_100000223864_100000183381 [0,1,0,0,0,1|2,0,0]=4 2369 B11R0.55 CCNC(=O)NC(CC)C(C)C 2708a_100000745074_100015525214 [0,1,0,0,0,1|1,0,0]=3 2370 B11R0.55 CCNC(=O)NC(CC)C(C)C 2708a_100015525214_100000745074 [0,1,0,0,0,1|1,0,0]=3 2371 B11R0.55 CCNC(=O)NC(CC)C(C)C 273464a_100000745074_100015525214 [0,1,0,0,0,1|1,0,0]=3 2372 B11R0.55 CCNC(=O)NC(CC)C(C)C 273464a_100015525214_100000745074 [0,1,0,0,0,1|1,0,0]=3 2373 B11R0.55 CCNC(=O)NC(CC)C(C)C 512a_100000745074_100015525214 [0,1,0,0,0,1|1,0,0]=3 2374 B11R0.55 CCNC(=O)NC(CC)C(C)C 512a_100015525214_100000745074 [0,1,0,0,0,1|1,0,0]=3 2375 B11R0.55 CCNC(=O)N[C@@H](CC)[C@@H](C)O 2708a_100015525214_100161114882 [0,1,0,0,0,1|1,0,0]=3 2376 B11R0.55 CCNC(=O)N[C@@H](CC)[C@@H](C)O 512a_100015525214_100161114882 [0,1,0,0,0,1|1,0,0]=3 2377 B11R0.55 CCNC(=O)N[C@@H](CC)[C@@H](C)O 512a_100161114882_100015525214 [0,1,0,0,0,1|1,0,0]=3 2378 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 2708a_100015525214_100011830312 [0,1,0,0,0,1|2,0,0]=4 2379 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 273464a_100011830312_100015525214 [0,1,0,0,0,1|2,0,0]=4 2380 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 273464a_100015525214_100011830312 [0,1,0,0,0,1|2,0,0]=4 2381 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 512a_100011830312_100015525214 [0,1,0,0,0,1|2,0,0]=4 2382 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 512a_100015525214_100011830312 [0,1,0,0,0,1|2,0,0]=4 2383 B11R0.55 CCNC(=O)N[C@H](CO)[C@@H](C)O 2708a_100015525214_100015196842 [0,1,0,0,0,1|2,0,0]=4 2384 B11R0.55 CCNC(=O)N[C@H](CO)[C@@H](C)O 512a_100015196842_100015525214 [0,1,0,0,0,1|2,0,0]=4 2385 B11R0.55 CCNC(=O)N[C@H](CO)[C@@H](C)O 512a_100015525214_100015196842 [0,1,0,0,0,1|2,0,0]=4 2386 B11R0.55 CCOC(=O)CN(CC)C(=O)C 11a_100000220607_100015343762 [0,1,0,0,0,1|1,0,1]=4 2387 B11R0.55 CCOC(=O)CN(CC)C(=O)C 1626a_100000220607_100015343762 [0,1,0,0,0,1|1,0,1]=4 2388 B11R0.55 CCOC(=O)CN(CC)C(=O)C 240690a_100000220607_100015343762 [0,1,0,0,0,1|1,0,1]=4 2389 B11R0.55 CCOC(=O)CN(CC)C(=O)C 527a_100000220607_100103153847 [0,1,0,0,0,1|1,0,1]=4 2390 B11R0.55 CCOC(=O)CN(CC)C(C)C 2230a_100000220607_100000210206 [0,1,0,0,0,1|1,0,0]=3 2391 B11R0.55 CCOC(=O)CN(CC)C(C)C 2230a_100000223864_100000188475 [0,1,0,0,0,1|1,0,0]=3 2392 B11R0.55 CCOC(=O)CN(CC)C(C)C 2230a_100000717205_100000210202 [0,1,0,0,0,1|1,0,0]=3 2393 B11R0.55 CCOC(=O)CN(CC)C(C)C 269982a_100000220607_100000210206 [0,1,0,0,0,1|1,0,0]=3 2394 B11R0.55 CCOC(=O)CN(CC)C(C)C 269982a_100000223864_100000188475 [0,1,0,0,0,1|1,0,0]=3 2395 B11R0.55 CCOC(=O)CN(CC)C(C)C 269982a_100000717205_100000204670 [0,1,0,0,0,1|1,0,0]=3 2396 B11R0.55 CCOC(=O)CN(CF)C(C)C 269982a_100000717205_100015361967 [0,1,0,0,0,1|2,0,0]=4 2397 B11R0.55 CC[C@H](NC(=O)CCO)[C@@H](C)O 240690a_100161114882_100011216618 [0,1,0,0,0,1|2,0,0]=4 2398 B11R0.55 CC[C@H](NC(=O)COC)[C@@H](C)O 11a_100161114882_100000210968 [0,1,0,0,0,1|2,0,0]=4 2399 B11R0.55 CC[C@H](NC(=O)COC)[C@@H](C)O 1626a_100161114882_100000210968 [0,1,0,0,0,1|2,0,0]=4 2400 B11R0.55 CC[C@H](NC(=O)COC)[C@@H](C)O 240690a_100161114882_100000210968 [0,1,0,0,0,1|2,0,0]=4 2401 B11R0.55 CC[C@H](NC(=O)COC)[C@@H](C)O 527a_100161114882_100000210968 [0,1,0,0,0,1|2,0,0]=4 2402 B11R0.55 CC[C@H](NC(=O)CSC)[C@@H](C)O 11a_100161114882_100000184570 [0,1,0,0,0,1|2,0,0]=4 2403 B11R0.55 CC[C@H](NC(=O)CSC)[C@@H](C)O 1626a_100161114882_100000184570 [0,1,0,0,0,1|2,0,0]=4 2404 B11R0.55 CC[C@H](NC(=O)CSC)[C@@H](C)O 240690a_100161114882_100000184570 [0,1,0,0,0,1|2,0,0]=4 2405 B11R0.55 CC[C@H](NC(=O)CSC)[C@@H](C)O 527a_100161114882_100000184570 [0,1,0,0,0,1|2,0,0]=4 2406 B11R0.55 CC[C@H](NC(=O)NNC)[C@@H](C)O 512a_100016993582_100161114882 [0,1,0,0,0,1|2,0,0]=4 2407 B11R0.55 CC[C@H](NC(=O)NNC)[C@@H](C)O 512a_100161114882_100016993582 [0,1,0,0,0,1|2,0,0]=4 2408 B11R0.65 C/C=C(\C)/C(=O)CC(CC)CC 1458a_100020587367_100011215472 [0,1,0,0,0,1|1,0,1]=4 2409 B11R0.65 C/C=C(\C)/C(=O)NC(CC)CC 11a_100000199018_100020587367 [0,1,0,0,0,1|1,0,1]=4 2410 B11R0.65 C/C=C(\C)/C(=O)NC(CC)CC 1626a_100000199018_100020587367 [0,1,0,0,0,1|1,0,1]=4 2411 B11R0.65 CCC(C)C(=O)CN(CC)CC 1458a_100000758533_100000758301 [0,1,0,0,0,1|2,0,0]=4 2412 B11R0.65 CCC(C)C(=O)N[C@@H](CC)CO 240690a_100000709445_100011192722 [0,1,0,0,0,1|2,0,0]=4 2413 B11R0.65 CCC(C)C(=O)N[C@@H](CC)CO 527a_100000709445_100011192722 [0,1,0,0,0,1|2,0,0]=4 2414 B11R0.65 CCC(CC)CC(=O)C(=O)NC 1458a_100011218921_100011215472 [0,1,0,0,0,1|2,0,0]=4 2415 B11R0.65 CCC(CC)CC(=O)C(C)CC 1458a_100011192722_100011215472 [0,1,0,0,0,1|1,0,0]=3 2416 B11R0.65 CCC(CC)CC(=O)C(C)OC 1458a_100000743197_100011215472 [0,1,0,0,0,1|2,0,0]=4 2417 B11R0.65 CCC(CC)CC(=O)C(C)SC 1458a_100000149566_100011215472 [0,1,0,0,0,1|2,0,0]=4 2418 B11R0.65 CCC(CC)CC(=O)C(O)CC 1458a_100011196387_100011215472 [0,1,0,0,0,1|1,0,0]=3 2419 B11R0.65 CCC(CC)CC(=O)C(O)CO 1458a_100011215603_100011215472 [0,1,0,0,0,1|2,0,0]=4 2420 B11R0.65 CCC(CC)NC(=O)C(=O)NC 1626a_100000199018_100011218921 [0,1,0,0,0,1|2,0,0]=4 2421 B11R0.65 CCC(CC)NC(=O)C(=O)NC 240690a_100000199018_100011218921 [0,1,0,0,0,1|2,0,0]=4 2422 B11R0.65 CCC(CC)NC(=O)C(=O)NC 527a_100000199018_100011218921 [0,1,0,0,0,1|2,0,0]=4 2423 B11R0.65 CCC(CC)NC(=O)C(=O)OC 11a_100000199018_100000024059 [0,1,0,0,0,1|2,0,0]=4 2424 B11R0.65 CCC(CC)NC(=O)C(=O)OC 1626a_100000199018_100000024059 [0,1,0,0,0,1|2,0,0]=4 2425 B11R0.65 CCC(CC)NC(=O)C(=O)OC 240690a_100000199018_100000024059 [0,1,0,0,0,1|2,0,0]=4 2426 B11R0.65 CCC(CC)NC(=O)C(=O)OC 527a_100000199018_100000024059 [0,1,0,0,0,1|2,0,0]=4 2427 B11R0.65 CCC(CC)NC(=O)C(C)CC 11a_100000199018_100011192722 [0,1,0,0,0,1|1,0,0]=3 2428 B11R0.65 CCC(CC)NC(=O)C(C)CC 1626a_100000199018_100011192722 [0,1,0,0,0,1|1,0,0]=3 2429 B11R0.65 CCC(CC)NC(=O)C(C)CC 240690a_100000199018_100011192722 [0,1,0,0,0,1|1,0,0]=3 2430 B11R0.65 CCC(CC)NC(=O)C(C)CC 527a_100000199018_100011192722 [0,1,0,0,0,1|1,0,0]=3 2431 B11R0.65 CCC(CC)NC(=O)C(C)NC 2230a_106832991635_100000735930 [0,1,0,0,0,1|2,0,0]=4 2432 B11R0.65 CCC(CC)NC(=O)C(C)NC 7a_106832991635_100000735930 [0,1,0,0,0,1|2,0,0]=4 2433 B11R0.65 CCC(CC)NC(=O)C(C)OC 11a_100000199018_100000743197 [0,1,0,0,0,1|2,0,0]=4 2434 B11R0.65 CCC(CC)NC(=O)C(C)OC 1626a_100000199018_100000743197 [0,1,0,0,0,1|2,0,0]=4 2435 B11R0.65 CCC(CC)NC(=O)C(C)OC 240690a_100000199018_100000743197 [0,1,0,0,0,1|2,0,0]=4 2436 B11R0.65 CCC(CC)NC(=O)C(C)OC 527a_100000199018_100000743197 [0,1,0,0,0,1|2,0,0]=4 2437 B11R0.65 CCC(CC)NC(=O)C(C)SC 11a_100000199018_100000149566 [0,1,0,0,0,1|2,0,0]=4 2438 B11R0.65 CCC(CC)NC(=O)C(C)SC 1626a_100000199018_100000149566 [0,1,0,0,0,1|2,0,0]=4 2439 B11R0.65 CCC(CC)NC(=O)C(C)SC 240690a_100000199018_100000149566 [0,1,0,0,0,1|2,0,0]=4 2440 B11R0.65 CCC(CC)NC(=O)C(C)SC 527a_100000199018_100000149566 [0,1,0,0,0,1|2,0,0]=4 2441 B11R0.65 CCC(CC)NC(=O)C(C)SC 62a_100000735930_200000210301 [0,1,0,0,0,1|2,0,0]=4 2442 B11R0.65 CCC(CC)NC(=O)C(C)SC 62a_200000210301_100000735930 [0,1,0,0,0,1|2,0,0]=4 2443 B11R0.65 CCC(CC)NC(=O)C(C)S[13CH3] 62a_100000735930_200025704644 [0,1,0,0,0,1|2,0,0]=4 2444 B11R0.65 CCC(CC)NC(=O)C(C)S[13CH3] 62a_200025704644_100000735930 [0,1,0,0,0,1|2,0,0]=4 2445 B11R0.65 CCC(CC)NC(=O)C(O)CC 240690a_100000199018_100011196387 [0,1,0,0,0,1|1,0,0]=3 2446 B11R0.65 CCC(CC)NC(=O)C(O)CO 240690a_100000199018_100011215603 [0,1,0,0,0,1|2,0,0]=4 2447 B11R0.65 CCC(CC)NC(=O)N(C)CC 2708a_100000199018_100000225621 [0,1,0,0,0,1|1,0,0]=3 2448 B11R0.65 CCC(CC)NC(=O)N(C)CC 273464a_100000199018_100000225621 [0,1,0,0,0,1|1,0,0]=3 2449 B11R0.65 CCC(O)C(=O)N[C@@H](CC)CO 240690a_100000709445_100011196387 [0,1,0,0,0,1|2,0,0]=4 2450 B11R0.65 CCN(CC)CC(=O)N(C)CC 11a_100000225621_100000758533 [0,1,0,0,0,1|2,0,0]=4 2451 B11R0.65 CCN(CC)CC(=O)N(C)CC 1626a_100000225621_100000758533 [0,1,0,0,0,1|2,0,0]=4 2452 B11R0.65 CCN(CC)CC(=O)N(C)CC 2230a_100000724800_100000738999 [0,1,0,0,0,1|2,0,0]=4 2453 B11R0.65 CCN(CC)CC(=O)N(C)CC 240690a_100000225621_100000758533 [0,1,0,0,0,1|2,0,0]=4 2454 B11R0.65 CCN(CC)CC(=O)N(C)CC 269956a_100000042499_100000738999 [0,1,0,0,0,1|2,0,0]=4 2455 B11R0.65 CCN(CC)CC(=O)N(C)CC 269982a_100000724800_100000738999 [0,1,0,0,0,1|2,0,0]=4 2456 B11R0.65 CCN(CC)CC(=O)N(C)CC 527a_100000225621_100000758533 [0,1,0,0,0,1|2,0,0]=4 2457 B11R0.65 CC[C@@H](CO)NC(=O)N(C)CC 273464a_100000709445_100000225621 [0,1,0,0,0,1|2,0,0]=4 2458 B11R0.72 C#CCCC(=O)CC(CC)CC 1458a_100000692101_100011215472 [0,1,0,0,0,1|1,0,1]=4 2459 B11R0.72 C#CCCC(=O)NC(CC)CC 11a_100000199018_100000692101 [0,1,0,0,0,1|1,0,1]=4 2460 B11R0.72 C#CCCC(=O)NC(CC)CC 1626a_100000199018_100000692101 [0,1,0,0,0,1|1,0,1]=4 2461 B11R0.72 C#CCCC(=O)NC(CC)CC 240690a_100000199018_100000692101 [0,1,0,0,0,1|1,0,1]=4 2462 B11R0.72 C#CCCC(=O)NC(CC)CC 527a_100000199018_100000692101 [0,1,0,0,0,1|1,0,1]=4 2463 B11R0.72 C#CCNC(=O)NC(CC)CC 2708a_100000199018_100000212058 [0,1,0,0,0,1|1,0,1]=4 2464 B11R0.72 C#CCNC(=O)NC(CC)CC 2708a_100000212058_100000199018 [0,1,0,0,0,1|1,0,1]=4 2465 B11R0.72 C#CCNC(=O)NC(CC)CC 273464a_100000199018_100000212058 [0,1,0,0,0,1|1,0,1]=4 2466 B11R0.72 C#CCNC(=O)NC(CC)CC 273464a_100000212058_100000199018 [0,1,0,0,0,1|1,0,1]=4 2467 B11R0.72 C#CCNC(=O)NC(CC)CC 512a_100000199018_100000212058 [0,1,0,0,0,1|1,0,1]=4 2468 B11R0.72 C#CCNC(=O)NC(CC)CC 512a_100000212058_100000199018 [0,1,0,0,0,1|1,0,1]=4 2469 B11R0.72 C=C(CN(CC)CC)OCOC 269956a_100000042499_100000042856 [0,1,0,0,0,1|2,0,0]=4 2470 B11R0.72 C=C(CN(CC)CC)OCOC 269982a_100000724800_100000042856 [0,1,0,0,0,1|2,0,0]=4 2471 B11R0.72 C=CCCC(=O)CC(CC)CC 1458a_100000749702_100011215472 [0,1,0,0,0,1|1,0,1]=4 2472 B11R0.72 C=CCCC(=O)NC(CC)CC 11a_100000199018_100000749702 [0,1,0,0,0,1|1,0,1]=4 2473 B11R0.72 C=CCCC(=O)NC(CC)CC 1626a_100000199018_100000749702 [0,1,0,0,0,1|1,0,1]=4 2474 B11R0.72 C=CCCC(=O)NC(CC)CC 240690a_100000199018_100000749702 [0,1,0,0,0,1|1,0,1]=4 2475 B11R0.72 C=CCCC(=O)NC(CC)CC 527a_100000199018_100000749702 [0,1,0,0,0,1|1,0,1]=4 2476 B11R0.72 C=CCNC(=O)NC(CC)CC 2708a_100000199018_100020586998 [0,1,0,0,0,1|1,0,1]=4 2477 B11R0.72 C=CCNC(=O)NC(CC)CC 273464a_100000199018_100020586998 [0,1,0,0,0,1|1,0,1]=4 2478 B11R0.72 C=CCNC(=O)NC(CC)CC 273464a_100020586998_100000199018 [0,1,0,0,0,1|1,0,1]=4 2479 B11R0.72 C=CCNC(=O)NC(CC)CC 512a_100000199018_100020586998 [0,1,0,0,0,1|1,0,1]=4 2480 B11R0.72 C=CCNC(=O)NC(CC)CC 512a_100020586998_100000199018 [0,1,0,0,0,1|1,0,1]=4 2481 B11R0.72 C=CCOC(=O)CN(CC)CC 2230a_100000724800_100000033060 [0,1,0,0,0,1|1,0,1]=4 2482 B11R0.72 C=CCOC(=O)CN(CC)CC 269956a_100000042499_100000033060 [0,1,0,0,0,1|1,0,1]=4 2483 B11R0.72 C=CCOC(=O)CN(CC)CC 269982a_100000724800_100000033060 [0,1,0,0,0,1|1,0,1]=4 2484 B11R0.72 CC=CCC(=O)CC(CC)CC 1458a_100121576822_100011215472 [0,1,0,0,0,1|1,0,1]=4 2485 B11R0.72 CC=CCC(=O)NC(CC)CC 11a_100000199018_100121576822 [0,1,0,0,0,1|1,0,1]=4 2486 B11R0.72 CC=CCC(=O)NC(CC)CC 1626a_100000199018_100121576822 [0,1,0,0,0,1|1,0,1]=4 2487 B11R0.72 CC=CCC(=O)NC(CC)CC 240690a_100000199018_100121576822 [0,1,0,0,0,1|1,0,1]=4 2488 B11R0.72 CC=CCC(=O)NC(CC)CC 527a_100000199018_100121576822 [0,1,0,0,0,1|1,0,1]=4 2489 B11R0.72 CCC#CC(=O)CC(CC)CC 1458a_100011827653_100011215472 [0,1,0,0,0,1|1,0,0]=3 2490 B11R0.72 CCC(CC)CC(=O)C#CCO 1458a_100000049017_100011215472 [0,1,0,0,0,1|1,0,1]=4 2491 B11R0.72 CCC(CC)CC(=O)C=COC 1458a_100016268678_100011215472 [0,1,0,0,0,1|1,0,1]=4 2492 B11R0.72 CCC(CC)CC(=O)CCC#N 1458a_100011934036_100011215472 [0,1,0,0,0,1|1,0,1]=4 2493 B11R0.72 CCC(CC)CC(=O)CCOC 1458a_100000749529_100011215472 [0,1,0,0,0,1|1,0,0]=3 2494 B11R0.72 CCC(CC)CC(=O)CCSC 1458a_100000174002_100011215472 [0,1,0,0,0,1|1,0,0]=3 2495 B11R0.72 CCC(CC)NC(=O)C=COC 1626a_100000199018_100016268678 [0,1,0,0,0,1|1,0,1]=4 2496 B11R0.72 CCC(CC)NC(=O)C=COC 240690a_100000199018_100016268678 [0,1,0,0,0,1|1,0,1]=4 2497 B11R0.72 CCC(CC)NC(=O)CCC#N 11a_100000199018_100011934036 [0,1,0,0,0,1|1,0,1]=4 2498 B11R0.72 CCC(CC)NC(=O)CCC#N 1626a_100000199018_100011934036 [0,1,0,0,0,1|1,0,1]=4 2499 B11R0.72 CCC(CC)NC(=O)CCC#N 240690a_100000199018_100011934036 [0,1,0,0,0,1|1,0,1]=4 2500 B11R0.72 CCC(CC)NC(=O)CCC#N 527a_100000199018_100011934036 [0,1,0,0,0,1|1,0,1]=4 2501 B11R0.72 CCC(CC)NC(=O)CCOC 11a_100000199018_100000749529 [0,1,0,0,0,1|1,0,0]=3 2502 B11R0.72 CCC(CC)NC(=O)CCOC 1626a_100000199018_100000749529 [0,1,0,0,0,1|1,0,0]=3 2503 B11R0.72 CCC(CC)NC(=O)CCOC 240690a_100000199018_100000749529 [0,1,0,0,0,1|1,0,0]=3 2504 B11R0.72 CCC(CC)NC(=O)CCOC 527a_100000199018_100000749529 [0,1,0,0,0,1|1,0,0]=3 2505 B11R0.72 CCC(CC)NC(=O)CCSC 11a_100000199018_100000174002 [0,1,0,0,0,1|1,0,0]=3 2506 B11R0.72 CCC(CC)NC(=O)CCSC 1626a_100000199018_100000174002 [0,1,0,0,0,1|1,0,0]=3 2507 B11R0.72 CCC(CC)NC(=O)CCSC 240690a_100000199018_100000174002 [0,1,0,0,0,1|1,0,0]=3 2508 B11R0.72 CCC(CC)NC(=O)CCSC 527a_100000199018_100000174002 [0,1,0,0,0,1|1,0,0]=3 2509 B11R0.72 CCC(CC)NC(=O)NCC#N 2708a_100000734998_100000199018 [0,1,0,0,0,1|1,0,1]=4 2510 B11R0.72 CCC(CC)NC(=O)NCC#N 273464a_100000199018_100000734998 [0,1,0,0,0,1|1,0,1]=4 2511 B11R0.72 CCC(CC)NC(=O)NCC#N 273464a_100000734998_100000199018 [0,1,0,0,0,1|1,0,1]=4 2512 B11R0.72 CCC(CC)NC(=O)NCC#N 512a_100000199018_100000734998 [0,1,0,0,0,1|1,0,1]=4 2513 B11R0.72 CCC(CC)NC(=O)NCC#N 512a_100000734998_100000199018 [0,1,0,0,0,1|1,0,1]=4 2514 B11R0.72 CCC(CC)NC(=O)NCCF 2708a_100000199018_100000724931 [0,1,0,0,0,1|1,0,0]=3 2515 B11R0.72 CCC(CC)NC(=O)NCCF 273464a_100000199018_100000724931 [0,1,0,0,0,1|1,0,0]=3 2516 B11R0.72 CCC(CC)NC(=O)NCCF 273464a_100000724931_100000199018 [0,1,0,0,0,1|1,0,0]=3 2517 B11R0.72 CCC(CC)NC(=O)NCCF 512a_100000199018_100000724931 [0,1,0,0,0,1|1,0,0]=3 2518 B11R0.72 CCC(CC)NC(=O)NCCO 2708a_100000199018_100000210304 [0,1,0,0,0,1|1,0,0]=3 2519 B11R0.72 CCC(CC)NC(=O)NCCO 273464a_100000199018_100000210304 [0,1,0,0,0,1|1,0,0]=3 2520 B11R0.72 CCC(CC)NC(=O)NCCO 273464a_100000210304_100000199018 [0,1,0,0,0,1|1,0,0]=3 2521 B11R0.72 CCC(CC)NC(=O)NCCO 512a_100000199018_100000210304 [0,1,0,0,0,1|1,0,0]=3 2522 B11R0.72 CCC=CC(=O)CC(CC)CC 1458a_100000212282_100011215472 [0,1,0,0,0,1|1,0,0]=3 2523 B11R0.72 CCC=CC(=O)NC(CC)CC 11a_100000199018_100000212282 [0,1,0,0,0,1|1,0,0]=3 2524 B11R0.72 CCC=CC(=O)NC(CC)CC 1626a_100000199018_100000212282 [0,1,0,0,0,1|1,0,0]=3 2525 B11R0.72 CCC=CC(=O)NC(CC)CC 240690a_100000199018_100000212282 [0,1,0,0,0,1|1,0,0]=3 2526 B11R0.72 CCC=CC(=O)N[C@@H](CC)CO 240690a_100000709445_100000212282 [0,1,0,0,0,1|2,0,0]=4 2527 B11R0.72 CCCCC(=O)CC(CC)CC 1458a_100000210183_100011215472 [0,1,0,0,0,1|1,0,0]=3 2528 B11R0.72 CCCCC(=O)CN(CC)CC 1458a_100000758533_100000210211 [0,1,0,0,0,1|2,0,0]=4 2529 B11R0.72 CCCCC(=O)NC(CC)CC 11a_100000199018_100000210183 [0,1,0,0,0,1|1,0,0]=3 2530 B11R0.72 CCCCC(=O)NC(CC)CC 1626a_100000199018_100000210183 [0,1,0,0,0,1|1,0,0]=3 2531 B11R0.72 CCCCC(=O)NC(CC)CC 240690a_100000199018_100000210183 [0,1,0,0,0,1|1,0,0]=3 2532 B11R0.72 CCCCC(=O)NC(CC)CC 527a_100000199018_100000210183 [0,1,0,0,0,1|1,0,0]=3 2533 B11R0.72 CCCCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000210183 [0,1,0,0,0,1|2,0,0]=4 2534 B11R0.72 CCCCC(=O)N[C@@H](CC)CO 527a_100000709445_100000210183 [0,1,0,0,0,1|2,0,0]=4 2535 B11R0.72 CCCNC(=O)CN(CC)CC 11a_100020643023_100000758533 [0,1,0,0,0,1|2,0,0]=4 2536 B11R0.72 CCCNC(=O)CN(CC)CC 1626a_100020643023_100000758533 [0,1,0,0,0,1|2,0,0]=4 2537 B11R0.72 CCCNC(=O)CN(CC)CC 2230a_100000724800_100000183358 [0,1,0,0,0,1|2,0,0]=4 2538 B11R0.72 CCCNC(=O)CN(CC)CC 240690a_100020643023_100000758533 [0,1,0,0,0,1|2,0,0]=4 2539 B11R0.72 CCCNC(=O)CN(CC)CC 269956a_100000042499_100000183358 [0,1,0,0,0,1|2,0,0]=4 2540 B11R0.72 CCCNC(=O)CN(CC)CC 269982a_100000724800_100000183358 [0,1,0,0,0,1|2,0,0]=4 2541 B11R0.72 CCCNC(=O)CN(CC)CC 527a_100020643023_100000758533 [0,1,0,0,0,1|2,0,0]=4 2542 B11R0.72 CCCNC(=O)NC(CC)CC 2708a_100000199018_100020643023 [0,1,0,0,0,1|1,0,0]=3 2543 B11R0.72 CCCNC(=O)NC(CC)CC 2708a_100020643023_100000199018 [0,1,0,0,0,1|1,0,0]=3 2544 B11R0.72 CCCNC(=O)NC(CC)CC 273464a_100000199018_100020643023 [0,1,0,0,0,1|1,0,0]=3 2545 B11R0.72 CCCNC(=O)NC(CC)CC 273464a_100020643023_100000199018 [0,1,0,0,0,1|1,0,0]=3 2546 B11R0.72 CCCNC(=O)NC(CC)CC 512a_100000199018_100020643023 [0,1,0,0,0,1|1,0,0]=3 2547 B11R0.72 CCCNC(=O)NC(CC)CC 512a_100020643023_100000199018 [0,1,0,0,0,1|1,0,0]=3 2548 B11R0.72 CCCNC(=O)N[C@@H](CC)CO 2708a_100020643023_100000709445 [0,1,0,0,0,1|2,0,0]=4 2549 B11R0.72 CCCNC(=O)N[C@@H](CC)CO 273464a_100000709445_100020643023 [0,1,0,0,0,1|2,0,0]=4 2550 B11R0.72 CCCNC(=O)N[C@@H](CC)CO 273464a_100020643023_100000709445 [0,1,0,0,0,1|2,0,0]=4 2551 B11R0.72 CCCNC(=O)N[C@@H](CC)CO 512a_100000709445_100020643023 [0,1,0,0,0,1|2,0,0]=4 2552 B11R0.72 CCCNC(=O)N[C@@H](CC)CO 512a_100020643023_100000709445 [0,1,0,0,0,1|2,0,0]=4 2553 B11R0.72 CCCOC(=O)CN(CC)CC 2230a_100000724800_200011215008 [0,1,0,0,0,1|1,0,0]=3 2554 B11R0.72 CCCOC(=O)CN(CC)CC 269956a_100000042499_200011215008 [0,1,0,0,0,1|1,0,0]=3 2555 B11R0.72 CCCOC(=O)CN(CC)CC 269982a_100000724800_200011215008 [0,1,0,0,0,1|1,0,0]=3 2556 B11R0.72 CCN(CC)CC(=O)CCCF 1458a_100000758533_100011934791 [0,1,0,0,0,1|2,0,0]=4 2557 B11R0.72 CCN(CC)CC(=O)CCCO 1458a_100000758533_100011215043 [0,1,0,0,0,1|2,0,0]=4 2558 B11R0.72 CCN(CC)CC(=O)CCOC 1458a_100000758533_100000233755 [0,1,0,0,0,1|2,0,0]=4 2559 B11R0.72 CCN(CC)CC(=O)CCSC 1458a_100000758533_100000751147 [0,1,0,0,0,1|2,0,0]=4 2560 B11R0.72 CCN(CC)CC(=O)NCCF 11a_100000724931_100000758533 [0,1,0,0,0,1|2,0,0]=4 2561 B11R0.72 CCN(CC)CC(=O)NCCF 1626a_100000724931_100000758533 [0,1,0,0,0,1|2,0,0]=4 2562 B11R0.72 CCN(CC)CC(=O)NCCF 240690a_100000724931_100000758533 [0,1,0,0,0,1|2,0,0]=4 2563 B11R0.72 CCN(CC)CC(=O)NCCF 527a_100000724931_100000758533 [0,1,0,0,0,1|2,0,0]=4 2564 B11R0.72 CCN(CC)CC(=O)NCCO 240690a_100000210304_100000758533 [0,1,0,0,0,1|2,0,0]=4 2565 B11R0.72 CCN(CC)CC(=O)NCCO 527a_100000210304_100000758533 [0,1,0,0,0,1|2,0,0]=4 2566 B11R0.72 CCNNC(=O)CN(CC)CC 22a_100000756455_100000758533 [0,1,0,0,0,1|2,0,0]=4 2567 B11R0.72 CCNNC(=O)NC(CC)CC 273464a_100000199018_100000756455 [0,1,0,0,0,1|1,0,0]=3 2568 B11R0.72 CCNNC(=O)NC(CC)CC 512a_100000199018_100000756455 [0,1,0,0,0,1|1,0,0]=3 2569 B11R0.72 CCNNC(=O)NC(CC)CC 512a_100000756455_100000199018 [0,1,0,0,0,1|1,0,0]=3 2570 B11R0.72 CCNNC(=O)N[C@@H](CC)CO 273464a_100000709445_100000756455 [0,1,0,0,0,1|2,0,0]=4 2571 B11R0.72 CCNNC(=O)N[C@@H](CC)CO 512a_100000709445_100000756455 [0,1,0,0,0,1|2,0,0]=4 2572 B11R0.72 CCNNC(=O)N[C@@H](CC)CO 512a_100000756455_100000709445 [0,1,0,0,0,1|2,0,0]=4 2573 B11R0.72 CCOCC(=O)CC(CC)CC 1458a_100000211967_100011215472 [0,1,0,0,0,1|0,0,0]=2 2574 B11R0.72 CCOCC(=O)CC(OC)OC 1458a_100000211967_100000751394 [0,1,0,0,0,1|2,0,0]=4 2575 B11R0.72 CCOCC(=O)NC(CC)CC 11a_100000199018_100000211967 [0,1,0,0,0,1|0,0,0]=2 2576 B11R0.72 CCOCC(=O)NC(CC)CC 1626a_100000199018_100000211967 [0,1,0,0,0,1|0,0,0]=2 2577 B11R0.72 CCOCC(=O)NC(CC)CC 240690a_100000199018_100000211967 [0,1,0,0,0,1|0,0,0]=2 2578 B11R0.72 CCOCC(=O)NC(CC)CC 527a_100000199018_100000211967 [0,1,0,0,0,1|0,0,0]=2 2579 B11R0.72 CCOCC(=O)NC(CO)CO 240690a_100000759517_100000211967 [0,1,0,0,0,1|2,0,0]=4 2580 B11R0.72 CCOCC(=O)NC(CO)CO 527a_100000759517_100000211967 [0,1,0,0,0,1|2,0,0]=4 2581 B11R0.72 CCOCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000211967 [0,1,0,0,0,1|1,0,0]=3 2582 B11R0.72 CCOCC(=O)N[C@@H](CC)CO 527a_100000709445_100000211967 [0,1,0,0,0,1|1,0,0]=3 2583 B11R0.72 CCOCC(C)OC(CC)CC 7a_100000718985_100000210505 [0,1,0,0,0,1|1,0,1]=4 2584 B11R0.72 CCSCC(=O)CC(CC)CC 1458a_100000230394_100011215472 [0,1,0,0,0,1|0,1,0]=3 2585 B11R0.72 CCSCC(=O)NC(CC)CC 11a_100000199018_100000230394 [0,1,0,0,0,1|0,1,0]=3 2586 B11R0.72 CCSCC(=O)NC(CC)CC 1626a_100000199018_100000230394 [0,1,0,0,0,1|0,1,0]=3 2587 B11R0.72 CCSCC(=O)NC(CC)CC 240690a_100000199018_100000230394 [0,1,0,0,0,1|0,1,0]=3 2588 B11R0.72 CCSCC(=O)NC(CC)CC 527a_100000199018_100000230394 [0,1,0,0,0,1|0,1,0]=3 2589 B11R0.72 CCSCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000230394 [0,1,0,0,0,1|1,1,0]=4 2590 B11R0.72 CCSCC(=O)N[C@@H](CC)CO 527a_100000709445_100000230394 [0,1,0,0,0,1|1,1,0]=4 2591 B11R0.72 CC[C@@H](CO)NC(=O)CCOC 240690a_100000709445_100000749529 [0,1,0,0,0,1|2,0,0]=4 2592 B11R0.72 CC[C@@H](CO)NC(=O)CCOC 527a_100000709445_100000749529 [0,1,0,0,0,1|2,0,0]=4 2593 B11R0.72 CC[C@@H](CO)NC(=O)CCSC 240690a_100000709445_100000174002 [0,1,0,0,0,1|2,0,0]=4 2594 B11R0.72 CC[C@@H](CO)NC(=O)CCSC 527a_100000709445_100000174002 [0,1,0,0,0,1|2,0,0]=4 2595 B11R0.72 CC[C@@H](CO)NC(=O)NCCF 273464a_100000709445_100000724931 [0,1,0,0,0,1|2,0,0]=4 2596 B11R0.72 CC[C@@H](CO)NC(=O)NCCF 273464a_100000724931_100000709445 [0,1,0,0,0,1|2,0,0]=4 2597 B11R0.72 CC[C@@H](CO)NC(=O)NCCF 512a_100000709445_100000724931 [0,1,0,0,0,1|2,0,0]=4 2598 B11R0.72 CC[C@@H](CO)NC(=O)NCCO 273464a_100000210304_100000709445 [0,1,0,0,0,1|2,0,0]=4 2599 B11R0.72 CC[C@@H](CO)NC(=O)NCCO 273464a_100000709445_100000210304 [0,1,0,0,0,1|2,0,0]=4 2600 B11R0.72 CC[C@@H](CO)NC(=O)NCCO 512a_100000709445_100000210304 [0,1,0,0,0,1|2,0,0]=4 2601 B11R0.102 CCCS(=O)(=O)NC(CC)CC 270084a_100000199018_100000211391 [0,1,0,0,0,1|2,0,0]=4 2602 B11R0.102 CCCS(=O)(=O)NC(CC)CC 274078a_100000199018_100000211391 [0,1,0,0,0,1|2,0,0]=4 2603 B11R0.102 CCCS(=O)(=O)NC(CC)CC 40a_100000199018_100000054278 [0,1,0,0,0,1|2,0,0]=4 2604 B11R0.179 CC/C=C(\C)/C(=O)C(CC)CC 1458a_100016988807_100000210505 [0,1,0,0,0,1|2,0,0]=4 2605 B11R0.179 CC=CC(=O)N(C)C(CC)CC 11a_100000737045_100000210699 [0,1,0,0,0,1|1,0,1]=4 2606 B11R0.179 CC=CC(=O)N(C)C(CC)CC 1626a_100000737045_100000210699 [0,1,0,0,0,1|1,0,1]=4 2607 B11R0.179 CC=CC(=O)N(C)C(CC)CC 240690a_100000737045_100000210699 [0,1,0,0,0,1|1,0,1]=4 2608 B11R0.179 CCC(CC)N(C)C(=O)CCO 240690a_100000737045_100011216618 [0,1,0,0,0,1|2,0,0]=4 2609 B11R0.179 CCC(CC)N(C)C(=O)COC 11a_100000737045_100000210968 [0,1,0,0,0,1|2,0,0]=4 2610 B11R0.179 CCC(CC)N(C)C(=O)COC 1626a_100000737045_100000210968 [0,1,0,0,0,1|2,0,0]=4 2611 B11R0.179 CCC(CC)N(C)C(=O)COC 240690a_100000737045_100000210968 [0,1,0,0,0,1|2,0,0]=4 2612 B11R0.179 CCC(CC)N(C)C(=O)COC 527a_100000737045_100000210968 [0,1,0,0,0,1|2,0,0]=4 2613 B11R0.179 CCC(CC)N(C)C(=O)CSC 11a_100000737045_100000184570 [0,1,0,0,0,1|2,0,0]=4 2614 B11R0.179 CCC(CC)N(C)C(=O)CSC 1626a_100000737045_100000184570 [0,1,0,0,0,1|2,0,0]=4 2615 B11R0.179 CCC(CC)N(C)C(=O)CSC 240690a_100000737045_100000184570 [0,1,0,0,0,1|2,0,0]=4 2616 B11R0.179 CCC(CC)N(C)C(=O)CSC 527a_100000737045_100000184570 [0,1,0,0,0,1|2,0,0]=4 2617 B11R0.179 CCCC(=O)C(=O)N(CC)CC 1458a_200000187824_100000210303 [0,1,0,0,0,1|2,0,0]=4 2618 B11R0.179 CCCC(=O)N(C)C(CC)CC 11a_100000737045_100000211992 [0,1,0,0,0,1|1,0,0]=3 2619 B11R0.179 CCCC(=O)N(C)C(CC)CC 1626a_100000737045_100000211992 [0,1,0,0,0,1|1,0,0]=3 2620 B11R0.179 CCCC(=O)N(C)C(CC)CC 240690a_100000737045_100000211992 [0,1,0,0,0,1|1,0,0]=3 2621 B11R0.179 CCCC(=O)N(C)C(CC)CC 527a_100000737045_100000211992 [0,1,0,0,0,1|1,0,0]=3 2622 B11R0.179 CCNC(=O)C(=O)C(CC)CC 1458a_200011297158_100000210505 [0,1,0,0,0,1|1,0,0]=3 2623 B11R0.179 CCNC(=O)C(=O)N(CC)CC 1626a_100000724800_200011297158 [0,1,0,0,0,1|2,0,0]=4 2624 B11R0.179 CCNC(=O)C(=O)N(CC)CC 240690a_100000724800_200011297158 [0,1,0,0,0,1|2,0,0]=4 2625 B11R0.179 CCNC(=O)C(=O)N(CC)CC 240690a_100015525214_200000187824 [0,1,0,0,0,1|2,0,0]=4 2626 B11R0.179 CCNC(=O)C(=O)N(CC)CC 527a_100000724800_200011297158 [0,1,0,0,0,1|2,0,0]=4 2627 B11R0.179 CCNC(=O)C(=O)N(CC)CC 527a_100015525214_200000187824 [0,1,0,0,0,1|2,0,0]=4 2628 B11R0.179 CCNC(=O)C(C)N(CC)CC 2230a_100000724800_100000230173 [0,1,0,0,0,1|2,0,0]=4 2629 B11R0.179 CCNC(=O)C(C)N(CC)CC 269956a_100000042499_100000230173 [0,1,0,0,0,1|2,0,0]=4 2630 B11R0.179 CCNC(=O)C(C)N(CC)CC 269982a_100000724800_100000230173 [0,1,0,0,0,1|2,0,0]=4 2631 B11R0.179 CCNC(=O)N(C)C(CC)CC 2708a_100015525214_100000737045 [0,1,0,0,0,1|1,0,0]=3 2632 B11R0.179 CCNC(=O)N(C)C(CC)CC 273464a_100015525214_100000737045 [0,1,0,0,0,1|1,0,0]=3 2633 B11R0.179 CCOC(=O)C(=O)C(CC)SC 62a_200000210301_200010191611 [0,1,0,0,0,1|1,0,0]=3 2634 B11R0.179 CCOC(=O)C(=O)C(CC)SC 62a_200010191611_200000210301 [0,1,0,0,0,1|1,0,0]=3 2635 B11R0.179 CCOC(=O)C(=O)C(CC)S[13CH3] 62a_200010191611_200025704644 [0,1,0,0,0,1|1,0,0]=3 2636 B11R0.179 CCOC(=O)C(=O)C(CC)S[13CH3] 62a_200025704644_200010191611 [0,1,0,0,0,1|1,0,0]=3 2637 B11R0.179 CCOC(=O)C(=O)N(CC)CC 11a_100000724800_100014798877 [0,1,0,0,0,1|1,0,0]=3 2638 B11R0.179 CCOC(=O)C(=O)N(CC)CC 1626a_100000724800_100014798877 [0,1,0,0,0,1|1,0,0]=3 2639 B11R0.179 CCOC(=O)C(=O)N(CC)CC 240690a_100000724800_100014798877 [0,1,0,0,0,1|1,0,0]=3 2640 B11R0.179 CCOC(=O)C(C)N(CC)CC 2230a_100000724800_100011215307 [0,1,0,0,0,1|1,0,0]=3 2641 B11R0.179 CCOC(=O)C(C)N(CC)CC 269982a_100000724800_100011216346 [0,1,0,0,0,1|1,0,0]=3 2642 B11R0.179 CCOC(=O)C(F)N(CC)CC 2230a_100000724800_100000760018 [0,1,0,0,0,1|1,0,0]=3 2643 B11R0.179 CCOC(=O)C(F)N(CC)CC 269982a_100000724800_100000760018 [0,1,0,0,0,1|1,0,0]=3 2644 B11R0.179 CCOC(C)C(=O)C(CC)CC 1458a_100000739345_100000210505 [0,1,0,0,0,1|1,0,1]=4 2645 B11R0.182 C#CCN(CC)CC(=O)OCC 2230a_100000220607_100000038162 [0,1,0,0,0,1|1,0,1]=4 2646 B11R0.182 C#CCN(CC)CC(=O)OCC 2230a_100000744766_100000188475 [0,1,0,0,0,1|1,0,1]=4 2647 B11R0.182 C#CCN(CC)CC(=O)OCC 269982a_100000744766_100000188475 [0,1,0,0,0,1|1,0,1]=4 2648 B11R0.182 C=CCN(CC)CC(=O)OCC 2230a_100000220607_100000210623 [0,1,0,0,0,1|1,0,1]=4 2649 B11R0.182 C=CCN(CC)CC(=O)OCC 269982a_100000220607_100000210623 [0,1,0,0,0,1|1,0,1]=4 2650 B11R0.182 CC=CC(=O)NC(CC)CCC 11a_100000747048_100000210699 [0,1,0,0,0,1|1,0,1]=4 2651 B11R0.182 CC=CC(=O)NC(CC)CCC 1626a_100000747048_100000210699 [0,1,0,0,0,1|1,0,1]=4 2652 B11R0.182 CC=CC(=O)NC(CC)CCC 240690a_100000747048_100000210699 [0,1,0,0,0,1|1,0,1]=4 2653 B11R0.182 CC=CC(=O)NC(CC)COC 11a_100000757820_100000210699 [0,1,0,0,0,1|1,0,1]=4 2654 B11R0.182 CC=CC(=O)NC(CC)COC 1626a_100000757820_100000210699 [0,1,0,0,0,1|1,0,1]=4 2655 B11R0.182 CC=CC(=O)NC(CC)COC 240690a_100000757820_100000210699 [0,1,0,0,0,1|1,0,1]=4 2656 B11R0.182 CCC(COC)NC(=O)CCO 240690a_100000757820_100011216618 [0,1,0,0,0,1|2,0,0]=4 2657 B11R0.182 CCC(COC)NC(=O)COC 11a_100000757820_100000210968 [0,1,0,0,0,1|2,0,0]=4 2658 B11R0.182 CCC(COC)NC(=O)COC 1626a_100000757820_100000210968 [0,1,0,0,0,1|2,0,0]=4 2659 B11R0.182 CCC(COC)NC(=O)COC 240690a_100000757820_100000210968 [0,1,0,0,0,1|2,0,0]=4 2660 B11R0.182 CCC(COC)NC(=O)COC 527a_100000757820_100000210968 [0,1,0,0,0,1|2,0,0]=4 2661 B11R0.182 CCC(COC)NC(=O)CSC 11a_100000757820_100000184570 [0,1,0,0,0,1|2,0,0]=4 2662 B11R0.182 CCC(COC)NC(=O)CSC 1626a_100000757820_100000184570 [0,1,0,0,0,1|2,0,0]=4 2663 B11R0.182 CCC(COC)NC(=O)CSC 240690a_100000757820_100000184570 [0,1,0,0,0,1|2,0,0]=4 2664 B11R0.182 CCC(COC)NC(=O)CSC 527a_100000757820_100000184570 [0,1,0,0,0,1|2,0,0]=4 2665 B11R0.182 CCC(COC)NC(=O)NNC 273464a_100000757820_100016993582 [0,1,0,0,0,1|2,0,0]=4 2666 B11R0.182 CCC(COC)NC(=O)NNC 512a_100000757820_100016993582 [0,1,0,0,0,1|2,0,0]=4 2667 B11R0.182 CCC(COC)NC(=O)NNC 512a_100016993582_100000757820 [0,1,0,0,0,1|2,0,0]=4 2668 B11R0.182 CCCC(=O)CN(CC)CCC 2230a_100000226822_100000747444 [0,1,0,0,0,1|2,0,0]=4 2669 B11R0.182 CCCC(=O)CN(CC)CCC 269982a_100000226822_100000747444 [0,1,0,0,0,1|2,0,0]=4 2670 B11R0.182 CCCC(=O)CN(CC)CCO 2230a_100000210973_100000747444 [0,1,0,0,0,1|2,0,0]=4 2671 B11R0.182 CCCC(=O)CN(CC)CCO 269982a_100000210973_100000747444 [0,1,0,0,0,1|2,0,0]=4 2672 B11R0.182 CCCC(=O)NC(CC)CCC 11a_100000747048_100000211992 [0,1,0,0,0,1|1,0,0]=3 2673 B11R0.182 CCCC(=O)NC(CC)CCC 1626a_100000747048_100000211992 [0,1,0,0,0,1|1,0,0]=3 2674 B11R0.182 CCCC(=O)NC(CC)CCC 240690a_100000747048_100000211992 [0,1,0,0,0,1|1,0,0]=3 2675 B11R0.182 CCCC(=O)NC(CC)CCC 527a_100000747048_100000211992 [0,1,0,0,0,1|1,0,0]=3 2676 B11R0.182 CCCC(=O)NC(CC)COC 11a_100000757820_100000211992 [0,1,0,0,0,1|1,0,0]=3 2677 B11R0.182 CCCC(=O)NC(CC)COC 1626a_100000757820_100000211992 [0,1,0,0,0,1|1,0,0]=3 2678 B11R0.182 CCCC(=O)NC(CC)COC 240690a_100000757820_100000211992 [0,1,0,0,0,1|1,0,0]=3 2679 B11R0.182 CCCC(=O)NC(CC)COC 527a_100000757820_100000211992 [0,1,0,0,0,1|1,0,0]=3 2680 B11R0.182 CCCC(=O)NC(CO)COC 240690a_100000724102_100000211992 [0,1,0,0,0,1|2,0,0]=4 2681 B11R0.182 CCCC(=O)NC(CO)COC 527a_100000724102_100000211992 [0,1,0,0,0,1|2,0,0]=4 2682 B11R0.182 CCCC(=O)N[C@H](CC)CC#N 11a_200009818565_100000211992 [0,1,0,0,0,1|1,0,1]=4 2683 B11R0.182 CCCC(=O)N[C@H](CC)CC#N 1626a_200009818565_100000211992 [0,1,0,0,0,1|1,0,1]=4 2684 B11R0.182 CCCC(=O)N[C@H](CC)CC#N 240690a_200009818565_100000211992 [0,1,0,0,0,1|1,0,1]=4 2685 B11R0.182 CCCC(=O)N[C@H](CC)CC#N 527a_200009818565_100000211992 [0,1,0,0,0,1|1,0,1]=4 2686 B11R0.182 CCCC(=O)N[C@H](CO)CCC 240690a_100000732646_100000211992 [0,1,0,0,0,1|2,0,0]=4 2687 B11R0.182 CCCC(=O)N[C@H](CO)CCC 527a_100000732646_100000211992 [0,1,0,0,0,1|2,0,0]=4 2688 B11R0.182 CCCC(CC(=O)OCC)OC 7a_100011216533_200000210301 [0,1,0,0,0,1|1,0,0]=3 2689 B11R0.182 CCCC(CC(=O)OCC)O[13CH3] 7a_100011216533_200025704644 [0,1,0,0,0,1|1,0,0]=3 2690 B11R0.182 CCCC(CC)NC(=O)CCO 240690a_100000747048_100011216618 [0,1,0,0,0,1|2,0,0]=4 2691 B11R0.182 CCCC(CC)NC(=O)COC 11a_100000747048_100000210968 [0,1,0,0,0,1|2,0,0]=4 2692 B11R0.182 CCCC(CC)NC(=O)COC 1626a_100000747048_100000210968 [0,1,0,0,0,1|2,0,0]=4 2693 B11R0.182 CCCC(CC)NC(=O)COC 240690a_100000747048_100000210968 [0,1,0,0,0,1|2,0,0]=4 2694 B11R0.182 CCCC(CC)NC(=O)COC 527a_100000747048_100000210968 [0,1,0,0,0,1|2,0,0]=4 2695 B11R0.182 CCCC(CC)NC(=O)CSC 11a_100000747048_100000184570 [0,1,0,0,0,1|2,0,0]=4 2696 B11R0.182 CCCC(CC)NC(=O)CSC 1626a_100000747048_100000184570 [0,1,0,0,0,1|2,0,0]=4 2697 B11R0.182 CCCC(CC)NC(=O)CSC 240690a_100000747048_100000184570 [0,1,0,0,0,1|2,0,0]=4 2698 B11R0.182 CCCC(CC)NC(=O)CSC 527a_100000747048_100000184570 [0,1,0,0,0,1|2,0,0]=4 2699 B11R0.182 CCCC(CC)NC(=O)NCC 2708a_100000747048_100015525214 [0,1,0,0,0,1|1,0,0]=3 2700 B11R0.182 CCCC(CC)NC(=O)NCC 2708a_100015525214_100000747048 [0,1,0,0,0,1|1,0,0]=3 2701 B11R0.182 CCCC(CC)NC(=O)NCC 273464a_100000747048_100015525214 [0,1,0,0,0,1|1,0,0]=3 2702 B11R0.182 CCCC(CC)NC(=O)NCC 273464a_100015525214_100000747048 [0,1,0,0,0,1|1,0,0]=3 2703 B11R0.182 CCCC(CC)NC(=O)NCC 512a_100000747048_100015525214 [0,1,0,0,0,1|1,0,0]=3 2704 B11R0.182 CCCC(CC)NC(=O)NCC 512a_100015525214_100000747048 [0,1,0,0,0,1|1,0,0]=3 2705 B11R0.182 CCCC(CC)NC(=O)NNC 273464a_100000747048_100016993582 [0,1,0,0,0,1|2,0,0]=4 2706 B11R0.182 CCCC(CC)NC(=O)NNC 512a_100000747048_100016993582 [0,1,0,0,0,1|2,0,0]=4 2707 B11R0.182 CCCC(CC)NC(=O)NNC 512a_100016993582_100000747048 [0,1,0,0,0,1|2,0,0]=4 2708 B11R0.182 CCCN(CC)CC(=O)NCC 2230a_100000226822_100000183381 [0,1,0,0,0,1|2,0,0]=4 2709 B11R0.182 CCCN(CC)CC(=O)NCC 269982a_100000226822_100000183381 [0,1,0,0,0,1|2,0,0]=4 2710 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000220607_100000210303 [0,1,0,0,0,1|1,0,0]=3 2711 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000221057_100000210202 [0,1,0,0,0,1|1,0,0]=3 2712 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000226822_100000188475 [0,1,0,0,0,1|1,0,0]=3 2713 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000220607_100000210303 [0,1,0,0,0,1|1,0,0]=3 2714 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000221057_100000204670 [0,1,0,0,0,1|1,0,0]=3 2715 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000226822_100000188475 [0,1,0,0,0,1|1,0,0]=3 2716 B11R0.182 CCCN(CF)CC(=O)OCC 269982a_100000221057_100015361967 [0,1,0,0,0,1|2,0,0]=4 2717 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 2708a_100015525214_100000732646 [0,1,0,0,0,1|2,0,0]=4 2718 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 273464a_100000732646_100015525214 [0,1,0,0,0,1|2,0,0]=4 2719 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 273464a_100015525214_100000732646 [0,1,0,0,0,1|2,0,0]=4 2720 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 512a_100000732646_100015525214 [0,1,0,0,0,1|2,0,0]=4 2721 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 512a_100015525214_100000732646 [0,1,0,0,0,1|2,0,0]=4 2722 B11R0.182 CCNC(=O)CN(CC)CCO 2230a_100000210973_100000183381 [0,1,0,0,0,1|2,0,0]=4 2723 B11R0.182 CCNC(=O)CN(CC)CCO 269982a_100000210973_100000183381 [0,1,0,0,0,1|2,0,0]=4 2724 B11R0.182 CCNC(=O)NC(CC)COC 2708a_100000757820_100015525214 [0,1,0,0,0,1|1,0,0]=3 2725 B11R0.182 CCNC(=O)NC(CC)COC 2708a_100015525214_100000757820 [0,1,0,0,0,1|1,0,0]=3 2726 B11R0.182 CCNC(=O)NC(CC)COC 273464a_100000757820_100015525214 [0,1,0,0,0,1|1,0,0]=3 2727 B11R0.182 CCNC(=O)NC(CC)COC 273464a_100015525214_100000757820 [0,1,0,0,0,1|1,0,0]=3 2728 B11R0.182 CCNC(=O)NC(CC)COC 512a_100000757820_100015525214 [0,1,0,0,0,1|1,0,0]=3 2729 B11R0.182 CCNC(=O)NC(CC)COC 512a_100015525214_100000757820 [0,1,0,0,0,1|1,0,0]=3 2730 B11R0.182 CCNC(=O)NC(CO)COC 2708a_100015525214_100000724102 [0,1,0,0,0,1|2,0,0]=4 2731 B11R0.182 CCNC(=O)NC(CO)COC 273464a_100000724102_100015525214 [0,1,0,0,0,1|2,0,0]=4 2732 B11R0.182 CCNC(=O)NC(CO)COC 273464a_100015525214_100000724102 [0,1,0,0,0,1|2,0,0]=4 2733 B11R0.182 CCNC(=O)NC(CO)COC 512a_100015525214_100000724102 [0,1,0,0,0,1|2,0,0]=4 2734 B11R0.182 CCNC(=O)N[C@H](CC)CC#N 2708a_100015525214_200009818565 [0,1,0,0,0,1|1,0,1]=4 2735 B11R0.182 CCNC(=O)N[C@H](CC)CC#N 2708a_200009818565_100015525214 [0,1,0,0,0,1|1,0,1]=4 2736 B11R0.182 CCNC(=O)N[C@H](CC)CC#N 273464a_100015525214_200009818565 [0,1,0,0,0,1|1,0,1]=4 2737 B11R0.182 CCNC(=O)N[C@H](CC)CC#N 273464a_200009818565_100015525214 [0,1,0,0,0,1|1,0,1]=4 2738 B11R0.182 CCNC(=O)N[C@H](CC)CC#N 512a_100015525214_200009818565 [0,1,0,0,0,1|1,0,1]=4 2739 B11R0.182 CCNC(=O)N[C@H](CC)CC#N 512a_200009818565_100015525214 [0,1,0,0,0,1|1,0,1]=4 2740 B11R0.182 CCOC(=O)CN(CC)CC#N 2230a_100000220607_100011215382 [0,1,0,0,0,1|1,0,1]=4 2741 B11R0.182 CCOC(=O)CN(CC)CC#N 269982a_100000220607_100011214920 [0,1,0,0,0,1|1,0,1]=4 2742 B11R0.182 CCOC(=O)CN(CC)CC=O 2230a_100000220607_200015260668 [0,1,0,0,0,1|1,0,1]=4 2743 B11R0.182 CCOC(=O)CN(CC)CC=O 269982a_100000220607_200015260668 [0,1,0,0,0,1|1,0,1]=4 2744 B11R0.182 CCOC(=O)CN(CC)CCF 2230a_100000220607_100011217306 [0,1,0,0,0,1|1,0,0]=3 2745 B11R0.182 CCOC(=O)CN(CC)CCF 269982a_100000220607_100011217306 [0,1,0,0,0,1|1,0,0]=3 2746 B11R0.182 CCOC(=O)CN(CC)CCO 2230a_100000210973_100000188475 [0,1,0,0,0,1|1,0,0]=3 2747 B11R0.182 CCOC(=O)CN(CC)CCO 2230a_100000220607_100000211926 [0,1,0,0,0,1|1,0,0]=3 2748 B11R0.182 CCOC(=O)CN(CC)CCO 269982a_100000210973_100000188475 [0,1,0,0,0,1|1,0,0]=3 2749 B11R0.182 CCOC(=O)CN(CC)CCO 269982a_100000220607_100000211926 [0,1,0,0,0,1|1,0,0]=3 2750 B11R0.182 CCOC(=O)CN(CC)COC 2230a_100000220607_100000766300 [0,1,0,0,0,1|1,0,0]=3 2751 B11R0.182 CCOC(=O)CN(CC)COC 269982a_100000220607_100000766300 [0,1,0,0,0,1|1,0,0]=3 2752 B11R0.182 CCOC(=O)CN(CC)CSC 2230a_100000220607_100011218213 [0,1,0,0,0,1|1,0,0]=3 2753 B11R0.182 CCOC(=O)CN(CC)CSC 269982a_100000220607_100011218213 [0,1,0,0,0,1|1,0,0]=3 2754 B11R0.182 CCOC(=O)C[C@@H](CCl)OCC 7a_100000688340_100000210202 [0,1,0,0,0,1|1,0,0]=3 2755 B11R0.182 CCOC(=O)C[C@@H](CCl)OCF 7a_100000688340_100015361967 [0,1,0,0,0,1|2,0,0]=4 2756 B11R0.354 CCCC(=O)NC(C)(CC)CO 240690a_100000747662_100000211992 [0,1,0,0,0,1|2,0,0]=4 2757 B11R0.354 CCCC(=O)NC(C)(CC)CO 527a_100000747662_100000211992 [0,1,0,0,0,1|2,0,0]=4 2758 B11R0.354 CCNC(=O)NC(C)(CC)CO 2708a_100015525214_100000747662 [0,1,0,0,0,1|2,0,0]=4 2759 B11R0.354 CCNC(=O)NC(C)(CC)CO 273464a_100000747662_100015525214 [0,1,0,0,0,1|2,0,0]=4 2760 B11R0.354 CCNC(=O)NC(C)(CC)CO 273464a_100015525214_100000747662 [0,1,0,0,0,1|2,0,0]=4 2761 B11R0.354 CCNC(=O)NC(C)(CC)CO 512a_100000747662_100015525214 [0,1,0,0,0,1|2,0,0]=4 2762 B11R0.354 CCNC(=O)NC(C)(CC)CO 512a_100015525214_100000747662 [0,1,0,0,0,1|2,0,0]=4 2763 B11R0.96 CCCN(CC=O)C(CC)CC 2230a_100015185089_200015260668 [0,2,0,0,0,0|2,0,0]=4 2764 B11R0.96 CCCN(CC=O)C(CC)CC 269982a_100015185089_200015260668 [0,2,0,0,0,0|2,0,0]=4 2765 B11R0.138 CCCN(C(=O)C)C(CC)CC 11a_100015185089_100015343762 [0,2,0,0,0,0|2,0,0]=4 2766 B11R0.138 CCCN(C(=O)C)C(CC)CC 1626a_100015185089_100015343762 [0,2,0,0,0,0|2,0,0]=4 2767 B11R0.138 CCCN(C(=O)C)C(CC)CC 240690a_100015185089_100015343762 [0,2,0,0,0,0|2,0,0]=4 2768 B11R0.138 CCCN(C(=O)C)C(CC)CC 527a_100015185089_100103153847 [0,2,0,0,0,0|2,0,0]=4 2769 B11R0.156 CCC(CC)C(CC)OCCF 34a_200011216187_100011217306 [0,2,0,0,0,0|1,0,1]=4 2770 B11R0.156 CCC(CC)C(CC)OCCF 7a_200011216187_100011217306 [0,2,0,0,0,0|1,0,1]=4 2771 B11R0.156 CCC(CC)C(CC)OCCO 34a_200011216187_100000211926 [0,2,0,0,0,0|1,0,1]=4 2772 B11R0.156 CCC(CC)C(CC)OCCO 7a_200011216187_100000211926 [0,2,0,0,0,0|1,0,1]=4 2773 B11R0.156 CCC(CC)C(CC)OCSC 34a_200011216187_100011218213 [0,2,0,0,0,0|1,0,1]=4 2774 B11R0.156 CCCOC(CC)C(CC)CC 34a_200011216187_100000210303 [0,2,0,0,0,0|1,0,1]=4 2775 B11R0.156 CCCOC(CC)C(CC)CC 7a_200011216187_100000210303 [0,2,0,0,0,0|1,0,1]=4 2776 B11R0.156 CCOCN(CC)C(CC)CC 269982a_100000732065_100000739092 [0,2,0,0,0,0|2,0,0]=4 2777 B11R0.293 CCC(CC)C(CC)OC(C)C 34a_200011216187_100000210206 [0,2,0,0,0,0|1,0,1]=4 2778 B11R0.293 CCC(CC)C(CC)OC(C)C 7a_200011216187_100000210206 [0,2,0,0,0,0|1,0,1]=4 2779 B11R0.13 C#CCCC(=O)C(C)(CC)CC 1458a_100000692101_100009817345 [0,2,0,0,0,0|1,0,1]=4 2780 B11R0.13 C#CCCC(=O)C(C)(CC)CC 1458a_100000760562_100000753159 [0,2,0,0,0,0|1,0,1]=4 2781 B11R0.13 C#CCNC(=O)C(C)(CC)CC 11a_100000212058_100000760562 [0,2,0,0,0,0|1,0,1]=4 2782 B11R0.13 C#CCNC(=O)C(C)(CC)CC 1626a_100000212058_100000760562 [0,2,0,0,0,0|1,0,1]=4 2783 B11R0.13 C#CCNC(=O)C(C)(CC)CC 240690a_100000212058_100000760562 [0,2,0,0,0,0|1,0,1]=4 2784 B11R0.13 C#CCNC(=O)C(C)(CC)CC 527a_100000212058_100000760562 [0,2,0,0,0,0|1,0,1]=4 2785 B11R0.13 C/C=C/CC(=O)C(C)(CC)CC 1458a_100000760562_100102629194 [0,2,0,0,0,0|1,0,1]=4 2786 B11R0.13 C=CCCC(=O)C(C)(CC)CC 1458a_100000749702_100009817345 [0,2,0,0,0,0|1,0,1]=4 2787 B11R0.13 C=CCCC(=O)C(C)(CC)CC 1458a_100000760562_100000754431 [0,2,0,0,0,0|1,0,1]=4 2788 B11R0.13 C=CCNC(=O)C(C)(CC)CC 1626a_100020586998_100000760562 [0,2,0,0,0,0|1,0,1]=4 2789 B11R0.13 C=CCNC(=O)C(C)(CC)CC 240690a_100020586998_100000760562 [0,2,0,0,0,0|1,0,1]=4 2790 B11R0.13 C=CCNC(=O)C(C)(CC)CC 527a_100020586998_100000760562 [0,2,0,0,0,0|1,0,1]=4 2791 B11R0.13 CC#CCC(=O)C(C)(CC)CC 1458a_100000760562_100000748600 [0,2,0,0,0,0|1,0,1]=4 2792 B11R0.13 CC=CCC(=O)C(C)(CC)CC 1458a_100000760562_100000070051 [0,2,0,0,0,0|1,0,1]=4 2793 B11R0.13 CC=CCC(=O)C(C)(CC)CC 1458a_100121576822_100009817345 [0,2,0,0,0,0|1,0,1]=4 2794 B11R0.13 CCC#CC(=O)C(C)(CC)CC 1458a_100011827653_100009817345 [0,2,0,0,0,0|1,0,0]=3 2795 B11R0.13 CCC(C)(CC)C(=O)C#CCO 1458a_100000049017_100009817345 [0,2,0,0,0,0|1,0,1]=4 2796 B11R0.13 CCC(C)(CC)C(=O)C=COC 1458a_100016268678_100009817345 [0,2,0,0,0,0|1,0,1]=4 2797 B11R0.13 CCC(C)(CC)C(=O)CCC#N 1458a_100000760562_100011215226 [0,2,0,0,0,0|1,0,1]=4 2798 B11R0.13 CCC(C)(CC)C(=O)CCC#N 1458a_100011934036_100009817345 [0,2,0,0,0,0|1,0,1]=4 2799 B11R0.13 CCC(C)(CC)C(=O)CCCF 1458a_100000760562_100011934791 [0,2,0,0,0,0|1,0,0]=3 2800 B11R0.13 CCC(C)(CC)C(=O)CCCO 1458a_100000760562_100011215043 [0,2,0,0,0,0|1,0,0]=3 2801 B11R0.13 CCC(C)(CC)C(=O)CCOC 1458a_100000749529_100009817345 [0,2,0,0,0,0|1,0,0]=3 2802 B11R0.13 CCC(C)(CC)C(=O)CCOC 1458a_100000760562_100000233755 [0,2,0,0,0,0|1,0,0]=3 2803 B11R0.13 CCC(C)(CC)C(=O)CCSC 1458a_100000174002_100009817345 [0,2,0,0,0,0|1,0,0]=3 2804 B11R0.13 CCC(C)(CC)C(=O)CCSC 1458a_100000760562_100000751147 [0,2,0,0,0,0|1,0,0]=3 2805 B11R0.13 CCC(C)(CC)C(=O)NCC#N 1626a_100000734998_100000760562 [0,2,0,0,0,0|1,0,1]=4 2806 B11R0.13 CCC(C)(CC)C(=O)NCC#N 527a_100000734998_100000760562 [0,2,0,0,0,0|1,0,1]=4 2807 B11R0.13 CCC(C)(CC)C(=O)NCCF 11a_100000724931_100000760562 [0,2,0,0,0,0|1,0,0]=3 2808 B11R0.13 CCC(C)(CC)C(=O)NCCF 1626a_100000724931_100000760562 [0,2,0,0,0,0|1,0,0]=3 2809 B11R0.13 CCC(C)(CC)C(=O)NCCF 240690a_100000724931_100000760562 [0,2,0,0,0,0|1,0,0]=3 2810 B11R0.13 CCC(C)(CC)C(=O)NCCF 527a_100000724931_100000760562 [0,2,0,0,0,0|1,0,0]=3 2811 B11R0.13 CCC(C)(CC)C(=O)NCCO 240690a_100000210304_100000760562 [0,2,0,0,0,0|1,0,0]=3 2812 B11R0.13 CCC(C)(CC)C(=O)NCCO 527a_100000210304_100000760562 [0,2,0,0,0,0|1,0,0]=3 2813 B11R0.13 CCC=CC(=O)C(C)(CC)CC 1458a_100000212282_100009817345 [0,2,0,0,0,0|1,0,0]=3 2814 B11R0.13 CCCCC(=O)C(C)(CC)CC 1458a_100000210183_100009817345 [0,2,0,0,0,0|1,0,0]=3 2815 B11R0.13 CCCCC(=O)C(C)(CC)CC 1458a_100000760562_100000210211 [0,2,0,0,0,0|1,0,0]=3 2816 B11R0.13 CCCNC(=O)C(C)(CC)CC 11a_100020643023_100000760562 [0,2,0,0,0,0|1,0,0]=3 2817 B11R0.13 CCCNC(=O)C(C)(CC)CC 1626a_100020643023_100000760562 [0,2,0,0,0,0|1,0,0]=3 2818 B11R0.13 CCCNC(=O)C(C)(CC)CC 240690a_100020643023_100000760562 [0,2,0,0,0,0|1,0,0]=3 2819 B11R0.13 CCCNC(=O)C(C)(CC)CC 527a_100020643023_100000760562 [0,2,0,0,0,0|1,0,0]=3 2820 B11R0.13 CCNNC(=O)C(C)(CC)CC 22a_100000756455_100000760562 [0,2,0,0,0,0|1,0,0]=3 2821 B11R0.13 CCOCC(=O)C(C)(CC)CC 1458a_100000211967_100009817345 [0,2,0,0,0,0|0,0,0]=2 2822 B11R0.13 CCSCC(=O)C(C)(CC)CC 1458a_100000230394_100009817345 [0,2,0,0,0,0|0,1,0]=3 2823 B11R0.69 C#CCCC(=O)C(CC)CCC 1458a_100000692101_100011219200 [0,2,0,0,0,0|1,0,1]=4 2824 B11R0.69 C#CCCC(=O)C(CC)CCC 1458a_100011416436_100000753159 [0,2,0,0,0,0|1,0,1]=4 2825 B11R0.69 C#CCN(CC)C(=O)COCC 11a_100000744766_100000211967 [0,2,0,0,0,0|1,0,1]=4 2826 B11R0.69 C#CCN(CC)C(=O)COCC 1626a_100000744766_100000211967 [0,2,0,0,0,0|1,0,1]=4 2827 B11R0.69 C#CCN(CC)C(=O)COCC 240690a_100000744766_100000211967 [0,2,0,0,0,0|1,0,1]=4 2828 B11R0.69 C#CCN(CC)C(=O)COCC 527a_100000744766_100000211967 [0,2,0,0,0,0|1,0,1]=4 2829 B11R0.69 C#CCNC(=O)C(CC)CCC 11a_100000212058_100011416436 [0,2,0,0,0,0|1,0,1]=4 2830 B11R0.69 C#CCNC(=O)C(CC)CCC 1626a_100000212058_100011416436 [0,2,0,0,0,0|1,0,1]=4 2831 B11R0.69 C#CCNC(=O)C(CC)CCC 240690a_100000212058_100011416436 [0,2,0,0,0,0|1,0,1]=4 2832 B11R0.69 C#CCNC(=O)C(CC)CCC 527a_100000212058_100011416436 [0,2,0,0,0,0|1,0,1]=4 2833 B11R0.69 C/C=C/CC(=O)C(CC)CCC 1458a_100011416436_100102629194 [0,2,0,0,0,0|1,0,1]=4 2834 B11R0.69 C=CCCC(=O)C(CC)CCC 1458a_100000749702_100011219200 [0,2,0,0,0,0|1,0,1]=4 2835 B11R0.69 C=CCCC(=O)C(CC)CCC 1458a_100011416436_100000754431 [0,2,0,0,0,0|1,0,1]=4 2836 B11R0.69 C=CCNC(=O)C(CC)CCC 1626a_100020586998_100011416436 [0,2,0,0,0,0|1,0,1]=4 2837 B11R0.69 C=CCNC(=O)C(CC)CCC 240690a_100020586998_100011416436 [0,2,0,0,0,0|1,0,1]=4 2838 B11R0.69 C=CCNC(=O)C(CC)CCC 527a_100020586998_100011416436 [0,2,0,0,0,0|1,0,1]=4 2839 B11R0.69 CC#CCC(=O)C(CC)CCC 1458a_100011416436_100000748600 [0,2,0,0,0,0|1,0,1]=4 2840 B11R0.69 CC=CCC(=O)C(CC)CCC 1458a_100011416436_100000070051 [0,2,0,0,0,0|1,0,1]=4 2841 B11R0.69 CC=CCC(=O)C(CC)CCC 1458a_100121576822_100011219200 [0,2,0,0,0,0|1,0,1]=4 2842 B11R0.69 CC=NNC(=O)C(CC)OCC 4a_200015186548_200000210099 [0,2,0,0,0,0|1,0,1]=4 2843 B11R0.69 CCC#CC(=O)C(CC)CCC 1458a_100011827653_100011219200 [0,2,0,0,0,0|1,0,0]=3 2844 B11R0.69 CCC=CC(=O)C(CC)CCC 1458a_100000212282_100011219200 [0,2,0,0,0,0|1,0,0]=3 2845 B11R0.69 CCC=CC(=O)N(CC)CCC 11a_100000226822_100000212282 [0,2,0,0,0,0|2,0,0]=4 2846 B11R0.69 CCC=CC(=O)N(CC)CCC 1626a_100000226822_100000212282 [0,2,0,0,0,0|2,0,0]=4 2847 B11R0.69 CCC=CC(=O)N(CC)CCC 240690a_100000226822_100000212282 [0,2,0,0,0,0|2,0,0]=4 2848 B11R0.69 CCC=CC(=O)N(CC)CCO 240690a_100000210973_100000212282 [0,2,0,0,0,0|2,0,0]=4 2849 B11R0.69 CCCC(CC)C(=O)C#CCO 1458a_100000049017_100011219200 [0,2,0,0,0,0|1,0,1]=4 2850 B11R0.69 CCCC(CC)C(=O)C=COC 1458a_100016268678_100011219200 [0,2,0,0,0,0|1,0,1]=4 2851 B11R0.69 CCCC(CC)C(=O)CCC#N 1458a_100011416436_100011215226 [0,2,0,0,0,0|1,0,1]=4 2852 B11R0.69 CCCC(CC)C(=O)CCC#N 1458a_100011934036_100011219200 [0,2,0,0,0,0|1,0,1]=4 2853 B11R0.69 CCCC(CC)C(=O)CCCF 1458a_100011416436_100011934791 [0,2,0,0,0,0|1,0,0]=3 2854 B11R0.69 CCCC(CC)C(=O)CCCO 1458a_100011416436_100011215043 [0,2,0,0,0,0|1,0,0]=3 2855 B11R0.69 CCCC(CC)C(=O)CCOC 1458a_100000749529_100011219200 [0,2,0,0,0,0|1,0,0]=3 2856 B11R0.69 CCCC(CC)C(=O)CCOC 1458a_100011416436_100000233755 [0,2,0,0,0,0|1,0,0]=3 2857 B11R0.69 CCCC(CC)C(=O)CCSC 1458a_100000174002_100011219200 [0,2,0,0,0,0|1,0,0]=3 2858 B11R0.69 CCCC(CC)C(=O)CCSC 1458a_100011416436_100000751147 [0,2,0,0,0,0|1,0,0]=3 2859 B11R0.69 CCCC(CC)C(=O)COCC 1458a_100000211967_100011219200 [0,2,0,0,0,0|0,0,0]=2 2860 B11R0.69 CCCC(CC)C(=O)CSCC 1458a_100000230394_100011219200 [0,2,0,0,0,0|0,1,0]=3 2861 B11R0.69 CCCC(CC)C(=O)NCC#N 1626a_100000734998_100011416436 [0,2,0,0,0,0|1,0,1]=4 2862 B11R0.69 CCCC(CC)C(=O)NCC#N 527a_100000734998_100011416436 [0,2,0,0,0,0|1,0,1]=4 2863 B11R0.69 CCCC(CC)C(=O)NCCF 11a_100000724931_100011416436 [0,2,0,0,0,0|1,0,0]=3 2864 B11R0.69 CCCC(CC)C(=O)NCCF 1626a_100000724931_100011416436 [0,2,0,0,0,0|1,0,0]=3 2865 B11R0.69 CCCC(CC)C(=O)NCCF 240690a_100000724931_100011416436 [0,2,0,0,0,0|1,0,0]=3 2866 B11R0.69 CCCC(CC)C(=O)NCCF 527a_100000724931_100011416436 [0,2,0,0,0,0|1,0,0]=3 2867 B11R0.69 CCCC(CC)C(=O)NCCO 240690a_100000210304_100011416436 [0,2,0,0,0,0|1,0,0]=3 2868 B11R0.69 CCCC(CC)C(=O)NCCO 527a_100000210304_100011416436 [0,2,0,0,0,0|1,0,0]=3 2869 B11R0.69 CCCC(CC)C(=O)NNCC 22a_100000756455_100011416436 [0,2,0,0,0,0|1,0,0]=3 2870 B11R0.69 CCCCC(=O)C(CC)CCC 1458a_100000210183_100011219200 [0,2,0,0,0,0|1,0,0]=3 2871 B11R0.69 CCCCC(=O)C(CC)CCC 1458a_100011416436_100000210211 [0,2,0,0,0,0|1,0,0]=3 2872 B11R0.69 CCCCC(=O)N(CC)CCC 11a_100000226822_100000210183 [0,2,0,0,0,0|2,0,0]=4 2873 B11R0.69 CCCCC(=O)N(CC)CCC 1626a_100000226822_100000210183 [0,2,0,0,0,0|2,0,0]=4 2874 B11R0.69 CCCCC(=O)N(CC)CCC 240690a_100000226822_100000210183 [0,2,0,0,0,0|2,0,0]=4 2875 B11R0.69 CCCCC(=O)N(CC)CCC 527a_100000226822_100000210183 [0,2,0,0,0,0|2,0,0]=4 2876 B11R0.69 CCCCC(=O)N(CC)CCO 240690a_100000210973_100000210183 [0,2,0,0,0,0|2,0,0]=4 2877 B11R0.69 CCCCC(=O)N(CC)CCO 527a_100000210973_100000210183 [0,2,0,0,0,0|2,0,0]=4 2878 B11R0.69 CCCN(CC)C(=O)CCOC 11a_100000226822_100000749529 [0,2,0,0,0,0|2,0,0]=4 2879 B11R0.69 CCCN(CC)C(=O)CCOC 1626a_100000226822_100000749529 [0,2,0,0,0,0|2,0,0]=4 2880 B11R0.69 CCCN(CC)C(=O)CCOC 240690a_100000226822_100000749529 [0,2,0,0,0,0|2,0,0]=4 2881 B11R0.69 CCCN(CC)C(=O)CCOC 527a_100000226822_100000749529 [0,2,0,0,0,0|2,0,0]=4 2882 B11R0.69 CCCN(CC)C(=O)CCSC 11a_100000226822_100000174002 [0,2,0,0,0,0|2,0,0]=4 2883 B11R0.69 CCCN(CC)C(=O)CCSC 1626a_100000226822_100000174002 [0,2,0,0,0,0|2,0,0]=4 2884 B11R0.69 CCCN(CC)C(=O)CCSC 240690a_100000226822_100000174002 [0,2,0,0,0,0|2,0,0]=4 2885 B11R0.69 CCCN(CC)C(=O)CCSC 527a_100000226822_100000174002 [0,2,0,0,0,0|2,0,0]=4 2886 B11R0.69 CCCN(CC)C(=O)COCC 11a_100000226822_100000211967 [0,2,0,0,0,0|1,0,0]=3 2887 B11R0.69 CCCN(CC)C(=O)COCC 1626a_100000226822_100000211967 [0,2,0,0,0,0|1,0,0]=3 2888 B11R0.69 CCCN(CC)C(=O)COCC 240690a_100000226822_100000211967 [0,2,0,0,0,0|1,0,0]=3 2889 B11R0.69 CCCN(CC)C(=O)COCC 527a_100000226822_100000211967 [0,2,0,0,0,0|1,0,0]=3 2890 B11R0.69 CCCN(CC)C(=O)CSCC 11a_100000226822_100000230394 [0,2,0,0,0,0|1,1,0]=4 2891 B11R0.69 CCCN(CC)C(=O)CSCC 1626a_100000226822_100000230394 [0,2,0,0,0,0|1,1,0]=4 2892 B11R0.69 CCCN(CC)C(=O)CSCC 240690a_100000226822_100000230394 [0,2,0,0,0,0|1,1,0]=4 2893 B11R0.69 CCCN(CC)C(=O)CSCC 527a_100000226822_100000230394 [0,2,0,0,0,0|1,1,0]=4 2894 B11R0.69 CCCN(CC)C(=O)NCCF 273464a_100000724931_100000226822 [0,2,0,0,0,0|2,0,0]=4 2895 B11R0.69 CCCN(CC)C(=O)NCCO 273464a_100000210304_100000226822 [0,2,0,0,0,0|2,0,0]=4 2896 B11R0.69 CCCNC(=O)C(CC)CCC 11a_100020643023_100011416436 [0,2,0,0,0,0|1,0,0]=3 2897 B11R0.69 CCCNC(=O)C(CC)CCC 1626a_100020643023_100011416436 [0,2,0,0,0,0|1,0,0]=3 2898 B11R0.69 CCCNC(=O)C(CC)CCC 240690a_100020643023_100011416436 [0,2,0,0,0,0|1,0,0]=3 2899 B11R0.69 CCCNC(=O)C(CC)CCC 527a_100020643023_100011416436 [0,2,0,0,0,0|1,0,0]=3 2900 B11R0.69 CCCNC(=O)C(CC)NCC 2230a_100015525214_200011763335 [0,2,0,0,0,0|1,0,0]=3 2901 B11R0.69 CCCNC(=O)C(CC)SCC 62a_100000210202_200011763335 [0,2,0,0,0,0|1,0,0]=3 2902 B11R0.69 CCCNC(=O)C(CC)SCC 62a_200011763335_100000210202 [0,2,0,0,0,0|1,0,0]=3 2903 B11R0.69 CCCNC(=O)C(CC)SCF 62a_100015361967_200011763335 [0,2,0,0,0,0|2,0,0]=4 2904 B11R0.69 CCCNC(=O)C(CC)SCF 62a_200011763335_100015361967 [0,2,0,0,0,0|2,0,0]=4 2905 B11R0.69 CCCNC(=O)N(CC)CCC 2708a_100020643023_100000226822 [0,2,0,0,0,0|2,0,0]=4 2906 B11R0.69 CCCNC(=O)N(CC)CCC 273464a_100020643023_100000226822 [0,2,0,0,0,0|2,0,0]=4 2907 B11R0.69 CCCNC(=O)N(CC)CCO 2708a_100020643023_100000210973 [0,2,0,0,0,0|2,0,0]=4 2908 B11R0.69 CCCNC(=O)N(CC)CCO 273464a_100020643023_100000210973 [0,2,0,0,0,0|2,0,0]=4 2909 B11R0.69 CCN(CCO)C(=O)CCOC 240690a_100000210973_100000749529 [0,2,0,0,0,0|2,0,0]=4 2910 B11R0.69 CCN(CCO)C(=O)CCOC 527a_100000210973_100000749529 [0,2,0,0,0,0|2,0,0]=4 2911 B11R0.69 CCN(CCO)C(=O)CCSC 240690a_100000210973_100000174002 [0,2,0,0,0,0|2,0,0]=4 2912 B11R0.69 CCN(CCO)C(=O)CCSC 527a_100000210973_100000174002 [0,2,0,0,0,0|2,0,0]=4 2913 B11R0.69 CCN(CCO)C(=O)NCCF 273464a_100000724931_100000210973 [0,2,0,0,0,0|2,0,0]=4 2914 B11R0.69 CCN(CCO)C(=O)NCCO 273464a_100000210304_100000210973 [0,2,0,0,0,0|2,0,0]=4 2915 B11R0.69 CCOCC(=O)N(CC)CCO 240690a_100000210973_100000211967 [0,2,0,0,0,0|1,0,0]=3 2916 B11R0.69 CCOCC(=O)N(CC)CCO 527a_100000210973_100000211967 [0,2,0,0,0,0|1,0,0]=3 2917 B11R0.69 CCSCC(=O)N(CC)CCO 240690a_100000210973_100000230394 [0,2,0,0,0,0|1,1,0]=4 2918 B11R0.69 CCSCC(=O)N(CC)CCO 527a_100000210973_100000230394 [0,2,0,0,0,0|1,1,0]=4 2919 B11R0.113 C#CC(C)NC(=O)C(CC)CC 11a_100000707721_100000211163 [0,2,0,0,0,0|1,0,0]=3 2920 B11R0.113 C#CC(C)NC(=O)C(CC)CC 1626a_100000707721_100000211163 [0,2,0,0,0,0|1,0,0]=3 2921 B11R0.113 C#CC(C)NC(=O)C(CC)CC 240690a_100000707721_100000211163 [0,2,0,0,0,0|1,0,0]=3 2922 B11R0.113 C#CC(C)NC(=O)C(CC)CC 527a_100000707721_100000211163 [0,2,0,0,0,0|1,0,0]=3 2923 B11R0.113 C#CC(C)NC(=O)C(CC)OC 11a_100000707721_100000747056 [0,2,0,0,0,0|2,0,0]=4 2924 B11R0.113 C#CC(C)NC(=O)C(CC)OC 1626a_100000707721_100000747056 [0,2,0,0,0,0|2,0,0]=4 2925 B11R0.113 C#CC(C)NC(=O)C(CC)OC 240690a_100000707721_100000747056 [0,2,0,0,0,0|2,0,0]=4 2926 B11R0.113 C#CC(C)NC(=O)C(CC)OC 527a_100000707721_100000747056 [0,2,0,0,0,0|2,0,0]=4 2927 B11R0.113 C#CC(C)NC(=O)N(CC)CC 2708a_100000707721_100000724800 [0,2,0,0,0,0|2,0,0]=4 2928 B11R0.113 C#CC(C)NC(=O)N(CC)CC 273464a_100000707721_100000724800 [0,2,0,0,0,0|2,0,0]=4 2929 B11R0.113 C=CC(C)CC(=O)C(CC)CC 1458a_100011934298_100000210505 [0,2,0,0,0,0|1,0,0]=3 2930 B11R0.113 C=CC(C)CC(=O)N(CC)CC 11a_100000724800_100011934298 [0,2,0,0,0,0|2,0,0]=4 2931 B11R0.113 C=CC(C)CC(=O)N(CC)CC 1626a_100000724800_100011934298 [0,2,0,0,0,0|2,0,0]=4 2932 B11R0.113 C=CC(C)CC(=O)N(CC)CC 240690a_100000724800_100011934298 [0,2,0,0,0,0|2,0,0]=4 2933 B11R0.113 C=CC(C)CC(=O)N(CC)CC 527a_100000724800_100011934298 [0,2,0,0,0,0|2,0,0]=4 2934 B11R0.113 CCC(=CC(=O)C(CC)CC)C 1458a_100020758463_100000210505 [0,2,0,0,0,0|1,0,0]=3 2935 B11R0.113 CCC(=CC(=O)N(CC)CC)C 11a_100000724800_100020758463 [0,2,0,0,0,0|2,0,0]=4 2936 B11R0.113 CCC(=CC(=O)N(CC)CC)C 1626a_100000724800_100020758463 [0,2,0,0,0,0|2,0,0]=4 2937 B11R0.113 CCC(=CC(=O)N(CC)CC)C 240690a_100000724800_100020758463 [0,2,0,0,0,0|2,0,0]=4 2938 B11R0.113 CCC(=O)CC(=O)C(CC)CC 1458a_100000211163_100000747405 [0,2,0,0,0,0|1,0,0]=3 2939 B11R0.113 CCC(=O)CC(=O)C(CC)OC 1458a_100000747056_100000747405 [0,2,0,0,0,0|2,0,0]=4 2940 B11R0.113 CCC(=O)CC(=O)N(CC)CC 1458a_100000210414_100000211521 [0,2,0,0,0,0|2,0,0]=4 2941 B11R0.113 CCC(C)CC(=O)C(CC)CC 1458a_100000211163_100000748023 [0,2,0,0,0,0|1,0,0]=3 2942 B11R0.113 CCC(C)CC(=O)C(CC)CC 1458a_100000708755_100000210505 [0,2,0,0,0,0|1,0,0]=3 2943 B11R0.113 CCC(C)CC(=O)C(CC)OC 1458a_100000747056_100000748023 [0,2,0,0,0,0|2,0,0]=4 2944 B11R0.113 CCC(C)CC(=O)N(CC)CC 11a_100000724800_100000708755 [0,2,0,0,0,0|2,0,0]=4 2945 B11R0.113 CCC(C)CC(=O)N(CC)CC 1626a_100000724800_100000708755 [0,2,0,0,0,0|2,0,0]=4 2946 B11R0.113 CCC(C)CC(=O)N(CC)CC 240690a_100000724800_100000708755 [0,2,0,0,0,0|2,0,0]=4 2947 B11R0.113 CCC(C)CC(=O)N(CC)CC 527a_100000724800_100000708755 [0,2,0,0,0,0|2,0,0]=4 2948 B11R0.113 CCC(C)NC(=O)C(CC)CC 11a_100000209981_100000211163 [0,2,0,0,0,0|1,0,0]=3 2949 B11R0.113 CCC(C)NC(=O)C(CC)CC 1626a_100000209981_100000211163 [0,2,0,0,0,0|1,0,0]=3 2950 B11R0.113 CCC(C)NC(=O)C(CC)CC 240690a_100000209981_100000211163 [0,2,0,0,0,0|1,0,0]=3 2951 B11R0.113 CCC(C)NC(=O)C(CC)CC 527a_100000209981_100000211163 [0,2,0,0,0,0|1,0,0]=3 2952 B11R0.113 CCC(C)NC(=O)C(CC)OC 11a_100000209981_100000747056 [0,2,0,0,0,0|2,0,0]=4 2953 B11R0.113 CCC(C)NC(=O)C(CC)OC 1626a_100000209981_100000747056 [0,2,0,0,0,0|2,0,0]=4 2954 B11R0.113 CCC(C)NC(=O)C(CC)OC 240690a_100000209981_100000747056 [0,2,0,0,0,0|2,0,0]=4 2955 B11R0.113 CCC(C)NC(=O)C(CC)OC 527a_100000209981_100000747056 [0,2,0,0,0,0|2,0,0]=4 2956 B11R0.113 CCC(C)NC(=O)N(CC)CC 2708a_100000209981_100000724800 [0,2,0,0,0,0|2,0,0]=4 2957 B11R0.113 CCC(C)NC(=O)N(CC)CC 273464a_100000209981_100000724800 [0,2,0,0,0,0|2,0,0]=4 2958 B11R0.113 CCC(CC)C(=O)CC(=O)NC 1458a_100000211163_100000183359 [0,2,0,0,0,0|1,0,1]=4 2959 B11R0.113 CCC(CC)C(=O)CC(=O)OC 1458a_100000211163_100000747449 [0,2,0,0,0,0|1,0,1]=4 2960 B11R0.113 CCC(CC)C(=O)CC(=O)OC 1458a_100000211351_100000210505 [0,2,0,0,0,0|1,0,1]=4 2961 B11R0.113 CCC(CC)C(=O)CN(C)CC 1458a_100116209913_100000210505 [0,2,0,0,0,0|1,0,0]=3 2962 B11R0.113 CCC(CC)C(=O)C[C@@H](C)CC 1458a_100000211163_100009816398 [0,2,0,0,0,0|1,0,0]=3 2963 B11R0.113 CCC(CC)C(=O)C[C@@H](C)CO 1458a_100000211163_100000059175 [0,2,0,0,0,0|1,0,0]=3 2964 B11R0.113 CCC(CC)C(=O)NC(C)C#N 11a_100000737613_100000211163 [0,2,0,0,0,0|1,0,0]=3 2965 B11R0.113 CCC(CC)C(=O)NC(C)C#N 1626a_100000737613_100000211163 [0,2,0,0,0,0|1,0,0]=3 2966 B11R0.113 CCC(CC)C(=O)NC(C)C#N 527a_100000737613_100000211163 [0,2,0,0,0,0|1,0,0]=3 2967 B11R0.113 CCC(CC)C(=O)N[C@H](C)CF 11a_100102880703_100000211163 [0,2,0,0,0,0|1,0,0]=3 2968 B11R0.113 CCC(CC)C(=O)N[C@H](C)CF 1626a_100102880703_100000211163 [0,2,0,0,0,0|1,0,0]=3 2969 B11R0.113 CCC(CC)C(=O)N[C@H](C)CF 240690a_100102880703_100000211163 [0,2,0,0,0,0|1,0,0]=3 2970 B11R0.113 CCC(CC)C(=O)N[C@H](C)CF 527a_100102880703_100000211163 [0,2,0,0,0,0|1,0,0]=3 2971 B11R0.113 CCC(CC)C(=O)N[C@H](C)CO 240690a_100000737577_100000211163 [0,2,0,0,0,0|1,0,0]=3 2972 B11R0.113 CCC(CC)C(=O)N[C@H](C)CO 527a_100000737577_100000211163 [0,2,0,0,0,0|1,0,0]=3 2973 B11R0.113 CCC(O)CC(=O)C(CC)CC 1458a_100000211163_100011218378 [0,2,0,0,0,0|1,0,0]=3 2974 B11R0.113 CCC(O)CC(=O)C(CC)CC 1458a_100011667805_100000210505 [0,2,0,0,0,0|1,0,0]=3 2975 B11R0.113 CCC(O)CC(=O)C(CC)OC 1458a_100000747056_100011218378 [0,2,0,0,0,0|2,0,0]=4 2976 B11R0.113 CCC(O)CC(=O)N(CC)CC 1626a_100000724800_100011667805 [0,2,0,0,0,0|2,0,0]=4 2977 B11R0.113 CCC(O)CC(=O)N(CC)CC 240690a_100000724800_100011667805 [0,2,0,0,0,0|2,0,0]=4 2978 B11R0.113 CCC(OC)C(=O)C[C@@H](C)CC 1458a_100000747056_100009816398 [0,2,0,0,0,0|2,0,0]=4 2979 B11R0.113 CCC(OC)C(=O)C[C@@H](C)CO 1458a_100000747056_100000059175 [0,2,0,0,0,0|2,0,0]=4 2980 B11R0.113 CCC(OC)C(=O)NC(C)C#N 11a_100000737613_100000747056 [0,2,0,0,0,0|2,0,0]=4 2981 B11R0.113 CCC(OC)C(=O)NC(C)C#N 1626a_100000737613_100000747056 [0,2,0,0,0,0|2,0,0]=4 2982 B11R0.113 CCC(OC)C(=O)NC(C)C#N 527a_100000737613_100000747056 [0,2,0,0,0,0|2,0,0]=4 2983 B11R0.113 CCC(OC)C(=O)N[C@H](C)CF 11a_100102880703_100000747056 [0,2,0,0,0,0|2,0,0]=4 2984 B11R0.113 CCC(OC)C(=O)N[C@H](C)CF 1626a_100102880703_100000747056 [0,2,0,0,0,0|2,0,0]=4 2985 B11R0.113 CCC(OC)C(=O)N[C@H](C)CF 240690a_100102880703_100000747056 [0,2,0,0,0,0|2,0,0]=4 2986 B11R0.113 CCC(OC)C(=O)N[C@H](C)CF 527a_100102880703_100000747056 [0,2,0,0,0,0|2,0,0]=4 2987 B11R0.113 CCC(OC)C(=O)N[C@H](C)CO 240690a_100000737577_100000747056 [0,2,0,0,0,0|2,0,0]=4 2988 B11R0.113 CCC(OC)C(=O)N[C@H](C)CO 527a_100000737577_100000747056 [0,2,0,0,0,0|2,0,0]=4 2989 B11R0.113 CCN(C)CC(=O)N(CC)CC 2230a_100000181456_100000210202 [0,2,0,0,0,0|2,0,0]=4 2990 B11R0.113 CCN(C)CC(=O)N(CC)CC 2230a_100000225621_100000211521 [0,2,0,0,0,0|2,0,0]=4 2991 B11R0.113 CCN(C)CC(=O)N(CC)CC 240690a_100000724800_100116209913 [0,2,0,0,0,0|2,0,0]=4 2992 B11R0.113 CCN(C)CC(=O)N(CC)CC 269982a_100000181456_100000204670 [0,2,0,0,0,0|2,0,0]=4 2993 B11R0.113 CCN(C)CC(=O)N(CC)CC 269982a_100000225621_100000211521 [0,2,0,0,0,0|2,0,0]=4 2994 B11R0.113 CCN(C)CC(=O)N(CC)CC 527a_100000724800_100116209913 [0,2,0,0,0,0|2,0,0]=4 2995 B11R0.113 CCN(CC)C(=O)NC(C)C#N 2708a_100000737613_100000724800 [0,2,0,0,0,0|2,0,0]=4 2996 B11R0.113 CCN(CC)C(=O)NC(C)C#N 273464a_100000737613_100000724800 [0,2,0,0,0,0|2,0,0]=4 2997 B11R0.113 CCN(CC)C(=O)N[C@H](C)CF 273464a_100102880703_100000724800 [0,2,0,0,0,0|2,0,0]=4 2998 B11R0.113 CCN(CC)C(=O)N[C@H](C)CO 273464a_100000737577_100000724800 [0,2,0,0,0,0|2,0,0]=4 2999 B11R0.157 C#CCCCC(=O)C(CC)CC 1458a_100000211163_100000731252 [0,2,0,0,0,0|1,0,0]=3 3000 B11R0.157 C#CCCCC(=O)C(CC)CC 1458a_100000690238_100000210505 [0,2,0,0,0,0|1,0,0]=3 3001 B11R0.157 C#CCCCC(=O)C(CC)OC 1458a_100000747056_100000731252 [0,2,0,0,0,0|2,0,0]=4 3002 B11R0.157 C#CCCCC(=O)N(CC)CC 11a_100000724800_100000690238 [0,2,0,0,0,0|2,0,0]=4 3003 B11R0.157 C#CCCCC(=O)N(CC)CC 1626a_100000724800_100000690238 [0,2,0,0,0,0|2,0,0]=4 3004 B11R0.157 C#CCCCC(=O)N(CC)CC 240690a_100000724800_100000690238 [0,2,0,0,0,0|2,0,0]=4 3005 B11R0.157 C#CCCCC(=O)N(CC)CC 527a_100000724800_100000690238 [0,2,0,0,0,0|2,0,0]=4 3006 B11R0.157 C#CCCNC(=O)C(CC)CC 11a_100000755551_100000211163 [0,2,0,0,0,0|1,0,0]=3 3007 B11R0.157 C#CCCNC(=O)C(CC)CC 1626a_100000755551_100000211163 [0,2,0,0,0,0|1,0,0]=3 3008 B11R0.157 C#CCCNC(=O)C(CC)CC 240690a_100000755551_100000211163 [0,2,0,0,0,0|1,0,0]=3 3009 B11R0.157 C#CCCNC(=O)C(CC)CC 527a_100000755551_100000211163 [0,2,0,0,0,0|1,0,0]=3 3010 B11R0.157 C#CCCNC(=O)C(CC)OC 11a_100000755551_100000747056 [0,2,0,0,0,0|2,0,0]=4 3011 B11R0.157 C#CCCNC(=O)C(CC)OC 1626a_100000755551_100000747056 [0,2,0,0,0,0|2,0,0]=4 3012 B11R0.157 C#CCCNC(=O)C(CC)OC 240690a_100000755551_100000747056 [0,2,0,0,0,0|2,0,0]=4 3013 B11R0.157 C#CCCNC(=O)C(CC)OC 527a_100000755551_100000747056 [0,2,0,0,0,0|2,0,0]=4 3014 B11R0.157 C#CCCNC(=O)N(CC)CC 2708a_100000755551_100000724800 [0,2,0,0,0,0|2,0,0]=4 3015 B11R0.157 C#CCCNC(=O)N(CC)CC 273464a_100000755551_100000724800 [0,2,0,0,0,0|2,0,0]=4 3016 B11R0.157 C#CCOCC(=O)C(CC)CC 1458a_100011251226_100000210505 [0,2,0,0,0,0|0,0,1]=3 3017 B11R0.157 C#CCOCC(=O)N(CC)CC 11a_100000724800_100011251226 [0,2,0,0,0,0|1,0,1]=4 3018 B11R0.157 C#CCOCC(=O)N(CC)CC 1626a_100000724800_100011251226 [0,2,0,0,0,0|1,0,1]=4 3019 B11R0.157 C#CCOCC(=O)N(CC)CC 34a_100000210247_100000211521 [0,2,0,0,0,0|1,0,1]=4 3020 B11R0.157 C#CCOCC(=O)N(CC)CC 527a_100000724800_100011251226 [0,2,0,0,0,0|1,0,1]=4 3021 B11R0.157 C#CCOCC(=O)N(CC)CC 7a_200000238847_100000038162 [0,2,0,0,0,0|1,0,1]=4 3022 B11R0.157 C/C=C/C=CC(=O)C(CC)CC 1458a_100000185730_100000210505 [0,2,0,0,0,0|1,0,1]=4 3023 B11R0.157 C=CCCCC(=O)C(CC)CC 1458a_100000211163_100000757094 [0,2,0,0,0,0|1,0,0]=3 3024 B11R0.157 C=CCCCC(=O)C(CC)CC 1458a_100000766728_100000210505 [0,2,0,0,0,0|1,0,0]=3 3025 B11R0.157 C=CCCCC(=O)C(CC)OC 1458a_100000747056_100000757094 [0,2,0,0,0,0|2,0,0]=4 3026 B11R0.157 C=CCCCC(=O)N(CC)CC 11a_100000724800_100000766728 [0,2,0,0,0,0|2,0,0]=4 3027 B11R0.157 C=CCCCC(=O)N(CC)CC 1626a_100000724800_100000766728 [0,2,0,0,0,0|2,0,0]=4 3028 B11R0.157 C=CCCCC(=O)N(CC)CC 240690a_100000724800_100000766728 [0,2,0,0,0,0|2,0,0]=4 3029 B11R0.157 C=CCCCC(=O)N(CC)CC 527a_100000724800_100000766728 [0,2,0,0,0,0|2,0,0]=4 3030 B11R0.157 C=CCCNC(=O)C(CC)CC 11a_100015191253_100000211163 [0,2,0,0,0,0|1,0,0]=3 3031 B11R0.157 C=CCCNC(=O)C(CC)CC 1626a_100015191253_100000211163 [0,2,0,0,0,0|1,0,0]=3 3032 B11R0.157 C=CCCNC(=O)C(CC)CC 240690a_100015191253_100000211163 [0,2,0,0,0,0|1,0,0]=3 3033 B11R0.157 C=CCCNC(=O)C(CC)CC 527a_100015191253_100000211163 [0,2,0,0,0,0|1,0,0]=3 3034 B11R0.157 C=CCCNC(=O)C(CC)OC 11a_100015191253_100000747056 [0,2,0,0,0,0|2,0,0]=4 3035 B11R0.157 C=CCCNC(=O)C(CC)OC 1626a_100015191253_100000747056 [0,2,0,0,0,0|2,0,0]=4 3036 B11R0.157 C=CCCNC(=O)C(CC)OC 240690a_100015191253_100000747056 [0,2,0,0,0,0|2,0,0]=4 3037 B11R0.157 C=CCCNC(=O)C(CC)OC 527a_100015191253_100000747056 [0,2,0,0,0,0|2,0,0]=4 3038 B11R0.157 C=CCCNC(=O)N(CC)CC 2708a_100015191253_100000724800 [0,2,0,0,0,0|2,0,0]=4 3039 B11R0.157 C=CCCNC(=O)N(CC)CC 273464a_100015191253_100000724800 [0,2,0,0,0,0|2,0,0]=4 3040 B11R0.157 C=CCNNC(=O)C(CC)CC 22a_100020588587_100000211163 [0,2,0,0,0,0|1,0,1]=4 3041 B11R0.157 C=CCOCC(=O)N(CC)CC 34a_200000210373_100000211521 [0,2,0,0,0,0|1,0,1]=4 3042 B11R0.157 C=CCOCC(=O)N(CC)CC 7a_200000238847_100015514636 [0,2,0,0,0,0|1,0,1]=4 3043 B11R0.157 C=CCSCC(=O)C(CC)CC 1458a_100000230395_100000210505 [0,2,0,0,0,0|0,1,1]=4 3044 B11R0.157 C=COCCC(=O)C(CC)CC 1458a_100000211163_100000039644 [0,2,0,0,0,0|0,0,2]=4 3045 B11R0.157 CC#CCNC(=O)C(CC)CC 11a_100000685387_100000211163 [0,2,0,0,0,0|1,0,0]=3 3046 B11R0.157 CC#CCNC(=O)C(CC)CC 1626a_100000685387_100000211163 [0,2,0,0,0,0|1,0,0]=3 3047 B11R0.157 CC#CCNC(=O)C(CC)CC 527a_100000685387_100000211163 [0,2,0,0,0,0|1,0,0]=3 3048 B11R0.157 CC#CCNC(=O)C(CC)OC 11a_100000685387_100000747056 [0,2,0,0,0,0|2,0,0]=4 3049 B11R0.157 CC#CCNC(=O)C(CC)OC 1626a_100000685387_100000747056 [0,2,0,0,0,0|2,0,0]=4 3050 B11R0.157 CC#CCNC(=O)C(CC)OC 527a_100000685387_100000747056 [0,2,0,0,0,0|2,0,0]=4 3051 B11R0.157 CC#CCNC(=O)N(CC)CC 273464a_100000685387_100000724800 [0,2,0,0,0,0|2,0,0]=4 3052 B11R0.157 CC/C=C/CC(=O)C(CC)CC 1458a_100016274230_100000210505 [0,2,0,0,0,0|1,0,0]=3 3053 B11R0.157 CC/C=C/CC(=O)N(CC)CC 11a_100000724800_100016274230 [0,2,0,0,0,0|2,0,0]=4 3054 B11R0.157 CC/C=C/CC(=O)N(CC)CC 1626a_100000724800_100016274230 [0,2,0,0,0,0|2,0,0]=4 3055 B11R0.157 CC/C=C/CC(=O)N(CC)CC 240690a_100000724800_100016274230 [0,2,0,0,0,0|2,0,0]=4 3056 B11R0.157 CC/C=C/CC(=O)N(CC)CC 527a_100000724800_100016274230 [0,2,0,0,0,0|2,0,0]=4 3057 B11R0.157 CC/C=C\CC(=O)C(CC)CC 1458a_100000211163_100103147603 [0,2,0,0,0,0|1,0,0]=3 3058 B11R0.157 CC/C=C\CC(=O)C(CC)OC 1458a_100000747056_100103147603 [0,2,0,0,0,0|2,0,0]=4 3059 B11R0.157 CCC#CCC(=O)C(CC)CC 1458a_100000211163_100009813939 [0,2,0,0,0,0|1,0,0]=3 3060 B11R0.157 CCC#CCC(=O)C(CC)OC 1458a_100000747056_100009813939 [0,2,0,0,0,0|2,0,0]=4 3061 B11R0.157 CCC(CC)C(=NNCCO)C 4a_100000210001_100011393642 [0,2,0,0,0,0|2,0,0]=4 3062 B11R0.157 CCC(CC)C(=O)C=CCOC 1458a_100016285016_100000210505 [0,2,0,0,0,0|1,0,0]=3 3063 B11R0.157 CCC(CC)C(=O)CC#CCO 1458a_100000211163_200000047223 [0,2,0,0,0,0|1,0,1]=4 3064 B11R0.157 CCC(CC)C(=O)CCCC#N 1458a_100000075515_100000210505 [0,2,0,0,0,0|1,0,0]=3 3065 B11R0.157 CCC(CC)C(=O)CCCC#N 1458a_100000211163_100000211468 [0,2,0,0,0,0|1,0,0]=3 3066 B11R0.157 CCC(CC)C(=O)CCCCF 1458a_100000211163_100000729493 [0,2,0,0,0,0|1,0,0]=3 3067 B11R0.157 CCC(CC)C(=O)CCCCO 1458a_100000211163_100000210776 [0,2,0,0,0,0|1,0,0]=3 3068 B11R0.157 CCC(CC)C(=O)CCCCO 1458a_100000695505_100000210505 [0,2,0,0,0,0|1,0,0]=3 3069 B11R0.157 CCC(CC)C(=O)CCCOC 1458a_100000211163_100000740836 [0,2,0,0,0,0|1,0,0]=3 3070 B11R0.157 CCC(CC)C(=O)CCCOC 1458a_100000741012_100000210505 [0,2,0,0,0,0|1,0,0]=3 3071 B11R0.157 CCC(CC)C(=O)CCCSC 1458a_100000173376_100000210505 [0,2,0,0,0,0|1,0,0]=3 3072 B11R0.157 CCC(CC)C(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210505 [0,2,0,0,0,0|2,0,0]=4 3073 B11R0.157 CCC(CC)C(=O)COCCO 1458a_100000708028_100000210505 [0,2,0,0,0,0|0,0,0]=2 3074 B11R0.157 CCC(CC)C(=O)CSCC#N 1458a_100000150266_100000210505 [0,2,0,0,0,0|0,1,1]=4 3075 B11R0.157 CCC(CC)C(=O)NCCC#N 11a_100000720768_100000211163 [0,2,0,0,0,0|1,0,0]=3 3076 B11R0.157 CCC(CC)C(=O)NCCC#N 1626a_100000720768_100000211163 [0,2,0,0,0,0|1,0,0]=3 3077 B11R0.157 CCC(CC)C(=O)NCCC#N 240690a_100000720768_100000211163 [0,2,0,0,0,0|1,0,0]=3 3078 B11R0.157 CCC(CC)C(=O)NCCC#N 527a_100000720768_100000211163 [0,2,0,0,0,0|1,0,0]=3 3079 B11R0.157 CCC(CC)C(=O)NCCCF 11a_100015189416_100000211163 [0,2,0,0,0,0|1,0,0]=3 3080 B11R0.157 CCC(CC)C(=O)NCCCF 1626a_100015189416_100000211163 [0,2,0,0,0,0|1,0,0]=3 3081 B11R0.157 CCC(CC)C(=O)NCCCF 240690a_100015189416_100000211163 [0,2,0,0,0,0|1,0,0]=3 3082 B11R0.157 CCC(CC)C(=O)NCCCF 527a_100015189416_100000211163 [0,2,0,0,0,0|1,0,0]=3 3083 B11R0.157 CCC(CC)C(=O)NCCCO 240690a_100000182051_100000211163 [0,2,0,0,0,0|1,0,0]=3 3084 B11R0.157 CCC(CC)C(=O)NCCCO 527a_100000182051_100000211163 [0,2,0,0,0,0|1,0,0]=3 3085 B11R0.157 CCC(CC)C(=O)NCCOC 1626a_100000209980_100000211163 [0,2,0,0,0,0|1,0,0]=3 3086 B11R0.157 CCC(CC)C(=O)NCCOC 240690a_100000209980_100000211163 [0,2,0,0,0,0|1,0,0]=3 3087 B11R0.157 CCC(CC)C(=O)NCCOC 527a_100000209980_100000211163 [0,2,0,0,0,0|1,0,0]=3 3088 B11R0.157 CCC(CC)C(=O)NCCSC 11a_100020590264_100000211163 [0,2,0,0,0,0|1,0,0]=3 3089 B11R0.157 CCC(CC)C(=O)NCCSC 1626a_100020590264_100000211163 [0,2,0,0,0,0|1,0,0]=3 3090 B11R0.157 CCC(CC)C(=O)NCCSC 240690a_100020590264_100000211163 [0,2,0,0,0,0|1,0,0]=3 3091 B11R0.157 CCC(CC)C(=O)NCCSC 527a_100020590264_100000211163 [0,2,0,0,0,0|1,0,0]=3 3092 B11R0.157 CCC(CC)C(=O)NNCCO 22a_100000210001_100000211163 [0,2,0,0,0,0|1,0,0]=3 3093 B11R0.157 CCC(CC)C(=O)OCSCF 62a_100000140015_100015361967 [0,2,0,0,0,0|0,0,0]=2 3094 B11R0.157 CCC(CC)C(=O)OCSCF 62a_100015361967_100000140015 [0,2,0,0,0,0|0,0,0]=2 3095 B11R0.157 CCC(NC)C(=O)NCCOC 2230a_106832991635_200011763345 [0,2,0,0,0,0|2,0,0]=4 3096 B11R0.157 CCC(NC)C(=O)NCCOC 7a_106832991635_200011763345 [0,2,0,0,0,0|2,0,0]=4 3097 B11R0.157 CCC(OC)C(=O)CCCC#N 1458a_100000747056_100000211468 [0,2,0,0,0,0|2,0,0]=4 3098 B11R0.157 CCC(OC)C(=O)CCCCF 1458a_100000747056_100000729493 [0,2,0,0,0,0|2,0,0]=4 3099 B11R0.157 CCC(OC)C(=O)CCCCO 1458a_100000747056_100000210776 [0,2,0,0,0,0|2,0,0]=4 3100 B11R0.157 CCC(OC)C(=O)CCCOC 1458a_100000747056_100000740836 [0,2,0,0,0,0|2,0,0]=4 3101 B11R0.157 CCC(OC)C(=O)NCCC#N 11a_100000720768_100000747056 [0,2,0,0,0,0|2,0,0]=4 3102 B11R0.157 CCC(OC)C(=O)NCCC#N 1626a_100000720768_100000747056 [0,2,0,0,0,0|2,0,0]=4 3103 B11R0.157 CCC(OC)C(=O)NCCC#N 240690a_100000720768_100000747056 [0,2,0,0,0,0|2,0,0]=4 3104 B11R0.157 CCC(OC)C(=O)NCCC#N 527a_100000720768_100000747056 [0,2,0,0,0,0|2,0,0]=4 3105 B11R0.157 CCC(OC)C(=O)NCCCF 11a_100015189416_100000747056 [0,2,0,0,0,0|2,0,0]=4 3106 B11R0.157 CCC(OC)C(=O)NCCCF 1626a_100015189416_100000747056 [0,2,0,0,0,0|2,0,0]=4 3107 B11R0.157 CCC(OC)C(=O)NCCCF 240690a_100015189416_100000747056 [0,2,0,0,0,0|2,0,0]=4 3108 B11R0.157 CCC(OC)C(=O)NCCCF 527a_100015189416_100000747056 [0,2,0,0,0,0|2,0,0]=4 3109 B11R0.157 CCC(OC)C(=O)NCCCO 240690a_100000182051_100000747056 [0,2,0,0,0,0|2,0,0]=4 3110 B11R0.157 CCC(OC)C(=O)NCCCO 527a_100000182051_100000747056 [0,2,0,0,0,0|2,0,0]=4 3111 B11R0.157 CCC(OC)C(=O)NCCOC 1626a_100000209980_100000747056 [0,2,0,0,0,0|2,0,0]=4 3112 B11R0.157 CCC(OC)C(=O)NCCOC 240690a_100000209980_100000747056 [0,2,0,0,0,0|2,0,0]=4 3113 B11R0.157 CCC(OC)C(=O)NCCOC 527a_100000209980_100000747056 [0,2,0,0,0,0|2,0,0]=4 3114 B11R0.157 CCC(OC)C(=O)NCCSC 11a_100020590264_100000747056 [0,2,0,0,0,0|2,0,0]=4 3115 B11R0.157 CCC(OC)C(=O)NCCSC 1626a_100020590264_100000747056 [0,2,0,0,0,0|2,0,0]=4 3116 B11R0.157 CCC(OC)C(=O)NCCSC 240690a_100020590264_100000747056 [0,2,0,0,0,0|2,0,0]=4 3117 B11R0.157 CCC(OC)C(=O)NCCSC 527a_100020590264_100000747056 [0,2,0,0,0,0|2,0,0]=4 3118 B11R0.157 CCC(OC)C(=O)NNCCO 22a_100000210001_100000747056 [0,2,0,0,0,0|2,0,0]=4 3119 B11R0.157 CCC(SC)C(=O)NCCOC 62a_200000210301_200011763345 [0,2,0,0,0,0|2,0,0]=4 3120 B11R0.157 CCC(SC)C(=O)NCCOC 62a_200011763345_200000210301 [0,2,0,0,0,0|2,0,0]=4 3121 B11R0.157 CCC(S[13CH3])C(=O)NCCOC 62a_200011763345_200025704644 [0,2,0,0,0,0|2,0,0]=4 3122 B11R0.157 CCC(S[13CH3])C(=O)NCCOC 62a_200025704644_200011763345 [0,2,0,0,0,0|2,0,0]=4 3123 B11R0.157 CCC=NNC(=O)C(CC)CC 4a_100000189835_100000210100 [0,2,0,0,0,0|1,0,0]=3 3124 B11R0.157 CCC=NNC(=O)C(CC)OC 4a_100015186549_100000210100 [0,2,0,0,0,0|2,0,0]=4 3125 B11R0.157 CCCC#CC(=O)C(CC)CC 1458a_200011218047_100000210505 [0,2,0,0,0,0|1,0,0]=3 3126 B11R0.157 CCCC#CC(=O)N(CC)CC 240690a_100000724800_200011218047 [0,2,0,0,0,0|2,0,0]=4 3127 B11R0.157 CCCC=CC(=O)C(CC)CC 1458a_100000212230_100000210505 [0,2,0,0,0,0|1,0,0]=3 3128 B11R0.157 CCCC=CC(=O)N(CC)CC 11a_100000724800_100000212230 [0,2,0,0,0,0|2,0,0]=4 3129 B11R0.157 CCCC=CC(=O)N(CC)CC 1626a_100000724800_100000212230 [0,2,0,0,0,0|2,0,0]=4 3130 B11R0.157 CCCC=CC(=O)N(CC)CC 240690a_100000724800_100000212230 [0,2,0,0,0,0|2,0,0]=4 3131 B11R0.157 CCCCCC(=O)C(CC)CC 1458a_100000211163_100000210326 [0,2,0,0,0,0|1,0,0]=3 3132 B11R0.157 CCCCCC(=O)C(CC)CC 1458a_100000212188_100000210505 [0,2,0,0,0,0|1,0,0]=3 3133 B11R0.157 CCCCCC(=O)C(CC)OC 1458a_100000747056_100000210326 [0,2,0,0,0,0|2,0,0]=4 3134 B11R0.157 CCCCCC(=O)N(CC)CC 11a_100000724800_100000212188 [0,2,0,0,0,0|2,0,0]=4 3135 B11R0.157 CCCCCC(=O)N(CC)CC 1626a_100000724800_100000212188 [0,2,0,0,0,0|2,0,0]=4 3136 B11R0.157 CCCCCC(=O)N(CC)CC 240690a_100000724800_100000212188 [0,2,0,0,0,0|2,0,0]=4 3137 B11R0.157 CCCCCC(=O)N(CC)CC 527a_100000724800_100000212188 [0,2,0,0,0,0|2,0,0]=4 3138 B11R0.157 CCCCNC(=O)C(CC)CC 11a_100000102301_100000211163 [0,2,0,0,0,0|1,0,0]=3 3139 B11R0.157 CCCCNC(=O)C(CC)CC 1626a_100000102301_100000211163 [0,2,0,0,0,0|1,0,0]=3 3140 B11R0.157 CCCCNC(=O)C(CC)CC 240690a_100000102301_100000211163 [0,2,0,0,0,0|1,0,0]=3 3141 B11R0.157 CCCCNC(=O)C(CC)CC 527a_100000102301_100000211163 [0,2,0,0,0,0|1,0,0]=3 3142 B11R0.157 CCCCNC(=O)C(CC)NC 2230a_106832991635_200011763471 [0,2,0,0,0,0|2,0,0]=4 3143 B11R0.157 CCCCNC(=O)C(CC)NC 7a_106832991635_200011763471 [0,2,0,0,0,0|2,0,0]=4 3144 B11R0.157 CCCCNC(=O)C(CC)OC 11a_100000102301_100000747056 [0,2,0,0,0,0|2,0,0]=4 3145 B11R0.157 CCCCNC(=O)C(CC)OC 1626a_100000102301_100000747056 [0,2,0,0,0,0|2,0,0]=4 3146 B11R0.157 CCCCNC(=O)C(CC)OC 240690a_100000102301_100000747056 [0,2,0,0,0,0|2,0,0]=4 3147 B11R0.157 CCCCNC(=O)C(CC)OC 527a_100000102301_100000747056 [0,2,0,0,0,0|2,0,0]=4 3148 B11R0.157 CCCCNC(=O)C(CC)SC 62a_200000210301_200011763471 [0,2,0,0,0,0|2,0,0]=4 3149 B11R0.157 CCCCNC(=O)C(CC)SC 62a_200011763471_200000210301 [0,2,0,0,0,0|2,0,0]=4 3150 B11R0.157 CCCCNC(=O)C(CC)S[13CH3] 62a_200011763471_200025704644 [0,2,0,0,0,0|2,0,0]=4 3151 B11R0.157 CCCCNC(=O)C(CC)S[13CH3] 62a_200025704644_200011763471 [0,2,0,0,0,0|2,0,0]=4 3152 B11R0.157 CCCCNC(=O)N(CC)CC 2708a_100000102301_100000724800 [0,2,0,0,0,0|2,0,0]=4 3153 B11R0.157 CCCCNC(=O)N(CC)CC 273464a_100000102301_100000724800 [0,2,0,0,0,0|2,0,0]=4 3154 B11R0.157 CCCCOC(=O)[C@H](CC)OC 34a_100020628826_200000210301 [0,2,0,0,0,0|1,0,0]=3 3155 B11R0.157 CCCCOC(=O)[C@H](CC)OC 7a_100020628826_200000210301 [0,2,0,0,0,0|1,0,0]=3 3156 B11R0.157 CCCCOC(=O)[C@H](CC)O[13CH3] 34a_100020628826_200025704644 [0,2,0,0,0,0|1,0,0]=3 3157 B11R0.157 CCCCOC(=O)[C@H](CC)O[13CH3] 7a_100020628826_200025704644 [0,2,0,0,0,0|1,0,0]=3 3158 B11R0.157 CCCNCC(=O)N(CC)CC 2230a_100000174916_100000210303 [0,2,0,0,0,0|2,0,0]=4 3159 B11R0.157 CCCNN=C(C)C(CC)CC 4a_100000740057_100011393642 [0,2,0,0,0,0|2,0,0]=4 3160 B11R0.157 CCCNNC(=O)C(CC)CC 22a_100000740057_100000211163 [0,2,0,0,0,0|1,0,0]=3 3161 B11R0.157 CCCNNC(=O)C(CC)OC 22a_100000740057_100000747056 [0,2,0,0,0,0|2,0,0]=4 3162 B11R0.157 CCCOCC(=O)C(CC)CC 1458a_100000745993_100000210505 [0,2,0,0,0,0|0,0,0]=2 3163 B11R0.157 CCCOCC(=O)N(CC)CC 11a_100000724800_100000745993 [0,2,0,0,0,0|1,0,0]=3 3164 B11R0.157 CCCOCC(=O)N(CC)CC 1626a_100000724800_100000745993 [0,2,0,0,0,0|1,0,0]=3 3165 B11R0.157 CCCOCC(=O)N(CC)CC 240690a_100000724800_100000745993 [0,2,0,0,0,0|1,0,0]=3 3166 B11R0.157 CCCOCC(=O)N(CC)CC 34a_100000210258_100000211521 [0,2,0,0,0,0|1,0,0]=3 3167 B11R0.157 CCCOCC(=O)N(CC)CC 527a_100000724800_100000745993 [0,2,0,0,0,0|1,0,0]=3 3168 B11R0.157 CCCOCC(=O)N(CC)CC 7a_200000238847_100000210303 [0,2,0,0,0,0|1,0,0]=3 3169 B11R0.157 CCCSCC(=O)C(CC)CC 1458a_100000217233_100000210505 [0,2,0,0,0,0|0,1,0]=3 3170 B11R0.157 CCCSCC(=O)N(CC)CC 11a_100000724800_100000217233 [0,2,0,0,0,0|1,1,0]=4 3171 B11R0.157 CCCSCC(=O)N(CC)CC 1626a_100000724800_100000217233 [0,2,0,0,0,0|1,1,0]=4 3172 B11R0.157 CCCSCC(=O)N(CC)CC 240690a_100000724800_100000217233 [0,2,0,0,0,0|1,1,0]=4 3173 B11R0.157 CCCSCC(=O)N(CC)CC 527a_100000724800_100000217233 [0,2,0,0,0,0|1,1,0]=4 3174 B11R0.157 CCCSCC(=O)N(CC)CC 62a_100000210303_100000211521 [0,2,0,0,0,0|1,1,0]=4 3175 B11R0.157 CCCSCC(=O)N(CC)CC 62a_100000211521_100000210303 [0,2,0,0,0,0|1,1,0]=4 3176 B11R0.157 CCN(CC)C(=O)C=CCOC 11a_100000724800_100016285016 [0,2,0,0,0,0|2,0,0]=4 3177 B11R0.157 CCN(CC)C(=O)C=CCOC 1626a_100000724800_100016285016 [0,2,0,0,0,0|2,0,0]=4 3178 B11R0.157 CCN(CC)C(=O)C=CCOC 240690a_100000724800_100016285016 [0,2,0,0,0,0|2,0,0]=4 3179 B11R0.157 CCN(CC)C(=O)CCCC#N 11a_100000724800_100000075515 [0,2,0,0,0,0|2,0,0]=4 3180 B11R0.157 CCN(CC)C(=O)CCCC#N 1626a_100000724800_100000075515 [0,2,0,0,0,0|2,0,0]=4 3181 B11R0.157 CCN(CC)C(=O)CCCC#N 240690a_100000724800_100000075515 [0,2,0,0,0,0|2,0,0]=4 3182 B11R0.157 CCN(CC)C(=O)CCCC#N 527a_100000724800_100000075515 [0,2,0,0,0,0|2,0,0]=4 3183 B11R0.157 CCN(CC)C(=O)CCCCO 1626a_100000724800_100000695505 [0,2,0,0,0,0|2,0,0]=4 3184 B11R0.157 CCN(CC)C(=O)CCCNC 7a_106832991635_100000183999 [0,2,0,0,0,0|2,0,0]=4 3185 B11R0.157 CCN(CC)C(=O)CCCOC 11a_100000724800_100000741012 [0,2,0,0,0,0|2,0,0]=4 3186 B11R0.157 CCN(CC)C(=O)CCCOC 1626a_100000724800_100000741012 [0,2,0,0,0,0|2,0,0]=4 3187 B11R0.157 CCN(CC)C(=O)CCCOC 240690a_100000724800_100000741012 [0,2,0,0,0,0|2,0,0]=4 3188 B11R0.157 CCN(CC)C(=O)CCCOC 527a_100000724800_100000741012 [0,2,0,0,0,0|2,0,0]=4 3189 B11R0.157 CCN(CC)C(=O)CCCSC 11a_100000724800_100000173376 [0,2,0,0,0,0|2,0,0]=4 3190 B11R0.157 CCN(CC)C(=O)CCCSC 1626a_100000724800_100000173376 [0,2,0,0,0,0|2,0,0]=4 3191 B11R0.157 CCN(CC)C(=O)CCCSC 240690a_100000724800_100000173376 [0,2,0,0,0,0|2,0,0]=4 3192 B11R0.157 CCN(CC)C(=O)CCCSC 527a_100000724800_100000173376 [0,2,0,0,0,0|2,0,0]=4 3193 B11R0.157 CCN(CC)C(=O)CCCSC 62a_200000210301_100000183999 [0,2,0,0,0,0|2,0,0]=4 3194 B11R0.157 CCN(CC)C(=O)CCCS[13CH3] 62a_200025704644_100000183999 [0,2,0,0,0,0|2,0,0]=4 3195 B11R0.157 CCN(CC)C(=O)CCSCF 62a_100015361967_100011194432 [0,2,0,0,0,0|2,0,0]=4 3196 B11R0.157 CCN(CC)C(=O)CNCCF 2230a_100000174916_100011217306 [0,2,0,0,0,0|2,0,0]=4 3197 B11R0.157 CCN(CC)C(=O)CNCCF 34a_100000724931_100000211521 [0,2,0,0,0,0|2,0,0]=4 3198 B11R0.157 CCN(CC)C(=O)CNCCO 2230a_100000174916_100000211926 [0,2,0,0,0,0|2,0,0]=4 3199 B11R0.157 CCN(CC)C(=O)CNCCO 2230a_100016997473_100000211521 [0,2,0,0,0,0|2,0,0]=4 3200 B11R0.157 CCN(CC)C(=O)CNCCO 34a_100016990907_100000211521 [0,2,0,0,0,0|2,0,0]=4 3201 B11R0.157 CCN(CC)C(=O)CNCOC 2230a_100000174916_100000766300 [0,2,0,0,0,0|2,0,0]=4 3202 B11R0.157 CCN(CC)C(=O)CNCSC 2230a_100000174916_100011218213 [0,2,0,0,0,0|2,0,0]=4 3203 B11R0.157 CCN(CC)C(=O)COCC#N 7a_200000238847_100011215382 [0,2,0,0,0,0|1,0,1]=4 3204 B11R0.157 CCN(CC)C(=O)COCC=O 7a_200000238847_200015260668 [0,2,0,0,0,0|1,0,1]=4 3205 B11R0.157 CCN(CC)C(=O)COCCBr 34a_100000211926_100000211521 [0,2,0,0,0,0|1,0,0]=3 3206 B11R0.157 CCN(CC)C(=O)COCCF 7a_200000238847_100011217306 [0,2,0,0,0,0|1,0,0]=3 3207 B11R0.157 CCN(CC)C(=O)COCCN 34a_100000210304_100000211521 [0,2,0,0,0,0|1,0,0]=3 3208 B11R0.157 CCN(CC)C(=O)COCCO 1626a_100000724800_100000708028 [0,2,0,0,0,0|1,0,0]=3 3209 B11R0.157 CCN(CC)C(=O)COCCO 240690a_100000724800_100000708028 [0,2,0,0,0,0|1,0,0]=3 3210 B11R0.157 CCN(CC)C(=O)COCCO 7a_200000238847_100000211926 [0,2,0,0,0,0|1,0,0]=3 3211 B11R0.157 CCN(CC)C(=O)CSCCF 62a_100000211521_100011217306 [0,2,0,0,0,0|1,1,0]=4 3212 B11R0.157 CCN(CC)C(=O)CSCCF 62a_100011217306_100000211521 [0,2,0,0,0,0|1,1,0]=4 3213 B11R0.157 CCN(CC)C(=O)CSCCO 62a_100000211521_100000211926 [0,2,0,0,0,0|1,1,0]=4 3214 B11R0.157 CCN(CC)C(=O)CSCCO 62a_100000211926_100000211521 [0,2,0,0,0,0|1,1,0]=4 3215 B11R0.157 CCN(CC)C(=O)CSCOC 62a_100000211521_100000766300 [0,2,0,0,0,0|1,1,0]=4 3216 B11R0.157 CCN(CC)C(=O)CSCOC 62a_100000766300_100000211521 [0,2,0,0,0,0|1,1,0]=4 3217 B11R0.157 CCN(CC)C(=O)CSCSC 62a_100000211521_100011218213 [0,2,0,0,0,0|1,1,0]=4 3218 B11R0.157 CCN(CC)C(=O)CSCSC 62a_100011218213_100000211521 [0,2,0,0,0,0|1,1,0]=4 3219 B11R0.157 CCN(CC)C(=O)NCCC#N 2708a_100000720768_100000724800 [0,2,0,0,0,0|2,0,0]=4 3220 B11R0.157 CCN(CC)C(=O)NCCC#N 273464a_100000720768_100000724800 [0,2,0,0,0,0|2,0,0]=4 3221 B11R0.157 CCN(CC)C(=O)NCCCF 2708a_100015189416_100000724800 [0,2,0,0,0,0|2,0,0]=4 3222 B11R0.157 CCN(CC)C(=O)NCCCF 273464a_100015189416_100000724800 [0,2,0,0,0,0|2,0,0]=4 3223 B11R0.157 CCN(CC)C(=O)NCCCO 273464a_100000182051_100000724800 [0,2,0,0,0,0|2,0,0]=4 3224 B11R0.157 CCN(CC)C(=O)NCCOC 273464a_100000209980_100000724800 [0,2,0,0,0,0|2,0,0]=4 3225 B11R0.157 CCN(CC)C(=O)NCCSC 2708a_100020590264_100000724800 [0,2,0,0,0,0|2,0,0]=4 3226 B11R0.157 CCN(CC)C(=O)NCCSC 273464a_100020590264_100000724800 [0,2,0,0,0,0|2,0,0]=4 3227 B11R0.157 CCN(CC)C(=O)OCSCF 62a_100015361967_100000140013 [0,2,0,0,0,0|1,0,0]=3 3228 B11R0.157 CCNCCC(=O)N(CC)CC 2230a_100015525214_100011194432 [0,2,0,0,0,0|2,0,0]=4 3229 B11R0.157 CCNCOC(=O)C(CC)CC 2230a_100015525214_100000140015 [0,2,0,0,0,0|0,0,0]=2 3230 B11R0.157 CCNCOC(=O)N(CC)CC 2230a_100015525214_100000140013 [0,2,0,0,0,0|1,0,0]=3 3231 B11R0.157 CCOC=CC(=O)C(CC)CC 1458a_100016266692_100000210505 [0,2,0,0,0,0|0,0,0]=2 3232 B11R0.157 CCOC=CC(=O)N(CC)CC 11a_100000724800_100016266692 [0,2,0,0,0,0|1,0,0]=3 3233 B11R0.157 CCOC=CC(=O)N(CC)CC 1626a_100000724800_100016266692 [0,2,0,0,0,0|1,0,0]=3 3234 B11R0.157 CCOC=CC(=O)N(CC)CC 240690a_100000724800_100016266692 [0,2,0,0,0,0|1,0,0]=3 3235 B11R0.157 CCOCCC(=O)C(CC)CC 1458a_100000211163_100011215890 [0,2,0,0,0,0|0,0,0]=2 3236 B11R0.157 CCOCCC(=O)C(CC)CC 1458a_100000749530_100000210505 [0,2,0,0,0,0|0,0,0]=2 3237 B11R0.157 CCOCCC(=O)C(CC)OC 1458a_100000747056_100011215890 [0,2,0,0,0,0|1,0,0]=3 3238 B11R0.157 CCOCCC(=O)C(OC)OC 1458a_100000046285_100011215890 [0,2,0,0,0,0|2,0,0]=4 3239 B11R0.157 CCOCCC(=O)N(CC)CC 11a_100000724800_100000749530 [0,2,0,0,0,0|1,0,0]=3 3240 B11R0.157 CCOCCC(=O)N(CC)CC 1626a_100000724800_100000749530 [0,2,0,0,0,0|1,0,0]=3 3241 B11R0.157 CCOCCC(=O)N(CC)CC 240690a_100000724800_100000749530 [0,2,0,0,0,0|1,0,0]=3 3242 B11R0.157 CCOCCC(=O)N(CC)CC 527a_100000724800_100000749530 [0,2,0,0,0,0|1,0,0]=3 3243 B11R0.157 CCOCCN(C)C(CC)CC 2230a_100000737045_100011215890 [0,2,0,0,0,0|2,0,0]=4 3244 B11R0.157 CCOCCN(C)C(CC)CC 269982a_100000737045_100011215890 [0,2,0,0,0,0|2,0,0]=4 3245 B11R0.157 CCOCOC(=O)C(CC)CC 34a_100121572206_100000140015 [0,2,0,0,0,0|0,0,0]=2 3246 B11R0.157 CCSCCC(=O)C(CC)CC 1458a_100000211163_100000757381 [0,2,0,0,0,0|0,1,0]=3 3247 B11R0.157 CCSCCC(=O)C(CC)CC 1458a_100000230768_100000210505 [0,2,0,0,0,0|0,1,0]=3 3248 B11R0.157 CCSCCC(=O)C(CC)OC 1458a_100000747056_100000757381 [0,2,0,0,0,0|1,1,0]=4 3249 B11R0.157 CCSCCC(=O)N(CC)CC 11a_100000724800_100000230768 [0,2,0,0,0,0|1,1,0]=4 3250 B11R0.157 CCSCCC(=O)N(CC)CC 1626a_100000724800_100000230768 [0,2,0,0,0,0|1,1,0]=4 3251 B11R0.157 CCSCCC(=O)N(CC)CC 240690a_100000724800_100000230768 [0,2,0,0,0,0|1,1,0]=4 3252 B11R0.157 CCSCCC(=O)N(CC)CC 527a_100000724800_100000230768 [0,2,0,0,0,0|1,1,0]=4 3253 B11R0.157 CCSCCC(=O)N(CC)CC 62a_100000210202_100011194432 [0,2,0,0,0,0|1,1,0]=4 3254 B11R0.157 CCSCOC(=O)C(CC)CC 62a_100000140015_100000210202 [0,2,0,0,0,0|0,0,0]=2 3255 B11R0.157 CCSCOC(=O)C(CC)CC 62a_100000210202_100000140015 [0,2,0,0,0,0|0,0,0]=2 3256 B11R0.157 CCSCOC(=O)N(CC)CC 62a_100000210202_100000140013 [0,2,0,0,0,0|1,0,0]=3 3257 B11R0.171 C=C(C)CCC(=O)C(CC)CC 1458a_100000211163_100000730704 [0,2,0,0,0,0|1,0,0]=3 3258 B11R0.171 C=C(C)CCC(=O)C(CC)CC 1458a_200000688413_100000210505 [0,2,0,0,0,0|1,0,0]=3 3259 B11R0.171 C=C(C)CCC(=O)C(CC)OC 1458a_100000747056_100000730704 [0,2,0,0,0,0|2,0,0]=4 3260 B11R0.171 C=C(C)CCC(=O)N(CC)CC 11a_100000724800_200000688413 [0,2,0,0,0,0|2,0,0]=4 3261 B11R0.171 C=C(C)CCC(=O)N(CC)CC 1626a_100000724800_200000688413 [0,2,0,0,0,0|2,0,0]=4 3262 B11R0.171 C=C(C)CCC(=O)N(CC)CC 240690a_100000724800_200000688413 [0,2,0,0,0,0|2,0,0]=4 3263 B11R0.171 C=C(C)CCC(=O)N(CC)CC 527a_100000724800_200000688413 [0,2,0,0,0,0|2,0,0]=4 3264 B11R0.171 C=C(C)CNC(=O)C(CC)CC 11a_100000765925_100000211163 [0,2,0,0,0,0|1,0,0]=3 3265 B11R0.171 C=C(C)CNC(=O)C(CC)CC 1626a_100000765925_100000211163 [0,2,0,0,0,0|1,0,0]=3 3266 B11R0.171 C=C(C)CNC(=O)C(CC)CC 240690a_100000765925_100000211163 [0,2,0,0,0,0|1,0,0]=3 3267 B11R0.171 C=C(C)CNC(=O)C(CC)CC 527a_100000765925_100000211163 [0,2,0,0,0,0|1,0,0]=3 3268 B11R0.171 C=C(C)CNC(=O)C(CC)OC 11a_100000765925_100000747056 [0,2,0,0,0,0|2,0,0]=4 3269 B11R0.171 C=C(C)CNC(=O)C(CC)OC 1626a_100000765925_100000747056 [0,2,0,0,0,0|2,0,0]=4 3270 B11R0.171 C=C(C)CNC(=O)C(CC)OC 240690a_100000765925_100000747056 [0,2,0,0,0,0|2,0,0]=4 3271 B11R0.171 C=C(C)CNC(=O)C(CC)OC 527a_100000765925_100000747056 [0,2,0,0,0,0|2,0,0]=4 3272 B11R0.171 C=C(C)CNC(=O)N(CC)CC 2708a_100000765925_100000724800 [0,2,0,0,0,0|2,0,0]=4 3273 B11R0.171 C=C(C)CNC(=O)N(CC)CC 273464a_100000765925_100000724800 [0,2,0,0,0,0|2,0,0]=4 3274 B11R0.171 CCC(CC)C(=NNC(C)C)C 4a_100000741168_100011393642 [0,2,0,0,0,0|2,0,0]=4 3275 B11R0.171 CCC(CC)C(=O)C=CC(C)C 1458a_100016268746_100000210505 [0,2,0,0,0,0|1,0,0]=3 3276 B11R0.171 CCC(CC)C(=O)CC=C(C)C 1458a_100000211163_100000761012 [0,2,0,0,0,0|1,0,1]=4 3277 B11R0.171 CCC(CC)C(=O)CC=C(C)C 1458a_100011220947_100000210505 [0,2,0,0,0,0|1,0,1]=4 3278 B11R0.171 CCC(CC)C(=O)CCC(=O)N 1458a_100011215257_100000210505 [0,2,0,0,0,0|1,0,1]=4 3279 B11R0.171 CCC(CC)C(=O)CCC(C)C 1458a_100000181311_100000210505 [0,2,0,0,0,0|1,0,0]=3 3280 B11R0.171 CCC(CC)C(=O)CCC(C)C 1458a_100000211163_100000210312 [0,2,0,0,0,0|1,0,0]=3 3281 B11R0.171 CCC(CC)C(=O)CCC(C)O 1458a_100000211163_100012276601 [0,2,0,0,0,0|1,0,0]=3 3282 B11R0.171 CCC(CC)C(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210505 [0,2,0,0,0,0|2,0,0]=4 3283 B11R0.171 CCC(CC)C(=O)CC[S+](C)C 1458a_100009452791_100000210505 [0,2,0,0,0,0|1,0,0]=3 3284 B11R0.171 CCC(CC)C(=O)CNC(=O)C 1458a_100000194580_100000210505 [0,2,0,0,0,0|1,0,1]=4 3285 B11R0.171 CCC(CC)C(=O)COC(=O)C 1458a_100000183556_100000210505 [0,2,0,0,0,0|0,0,1]=3 3286 B11R0.171 CCC(CC)C(=O)COC(C)C 1458a_100000745533_100000210505 [0,2,0,0,0,0|0,0,0]=2 3287 B11R0.171 CCC(CC)C(=O)COC(F)F 1458a_200000719455_100000210505 [0,2,0,0,0,0|1,0,0]=3 3288 B11R0.171 CCC(CC)C(=O)CSC(=O)C 1458a_100000049016_100000210505 [0,2,0,0,0,0|0,1,1]=4 3289 B11R0.171 CCC(CC)C(=O)CSC(C)C 1458a_100000241585_100000210505 [0,2,0,0,0,0|0,1,0]=3 3290 B11R0.171 CCC(CC)C(=O)CSC(F)F 1458a_114828291038_100000210505 [0,2,0,0,0,0|1,1,0]=4 3291 B11R0.171 CCC(CC)C(=O)NCC(=O)N 11a_100000711301_100000211163 [0,2,0,0,0,0|1,0,1]=4 3292 B11R0.171 CCC(CC)C(=O)NCC(=O)N 240690a_100000711301_100000211163 [0,2,0,0,0,0|1,0,1]=4 3293 B11R0.171 CCC(CC)C(=O)NCC(=O)N 527a_100000711301_100000211163 [0,2,0,0,0,0|1,0,1]=4 3294 B11R0.171 CCC(CC)C(=O)NCC(C)C 11a_100000210953_100000211163 [0,2,0,0,0,0|1,0,0]=3 3295 B11R0.171 CCC(CC)C(=O)NCC(C)C 1626a_100000210953_100000211163 [0,2,0,0,0,0|1,0,0]=3 3296 B11R0.171 CCC(CC)C(=O)NCC(C)C 240690a_100000210953_100000211163 [0,2,0,0,0,0|1,0,0]=3 3297 B11R0.171 CCC(CC)C(=O)NCC(C)C 527a_100000210953_100000211163 [0,2,0,0,0,0|1,0,0]=3 3298 B11R0.171 CCC(CC)C(=O)NCC(C)O 11a_100000210904_100000211163 [0,2,0,0,0,0|1,0,0]=3 3299 B11R0.171 CCC(CC)C(=O)NCC(C)O 240690a_100000210904_100000211163 [0,2,0,0,0,0|1,0,0]=3 3300 B11R0.171 CCC(CC)C(=O)NCC(C)O 527a_100000210904_100000211163 [0,2,0,0,0,0|1,0,0]=3 3301 B11R0.171 CCC(CC)C(=O)NCC(F)F 11a_100000765723_100000211163 [0,2,0,0,0,0|1,0,0]=3 3302 B11R0.171 CCC(CC)C(=O)NCC(F)F 1626a_100000765723_100000211163 [0,2,0,0,0,0|1,0,0]=3 3303 B11R0.171 CCC(CC)C(=O)NCC(F)F 240690a_100000765723_100000211163 [0,2,0,0,0,0|1,0,0]=3 3304 B11R0.171 CCC(CC)C(=O)NCC(F)F 527a_100000765723_100000211163 [0,2,0,0,0,0|1,0,0]=3 3305 B11R0.171 CCC(CC)C(=O)NNC(=O)C 22a_100000189765_100000211163 [0,2,0,0,0,0|1,0,1]=4 3306 B11R0.171 CCC(CC)C(=O)NNC(=O)C 22a_100000189835_100000070787 [0,2,0,0,0,0|1,0,1]=4 3307 B11R0.171 CCC(CC)C(=O)NNC(C)C 22a_100000741168_100000211163 [0,2,0,0,0,0|1,0,0]=3 3308 B11R0.171 CCC(CC)C(=O)OCC(=O)C 1458a_100000070787_100000140015 [0,2,0,0,0,0|0,0,0]=2 3309 B11R0.171 CCC(CC)C(=O)OCN(C)C 2230a_100102631434_100000140015 [0,2,0,0,0,0|0,0,0]=2 3310 B11R0.171 CCC(CC)C(=O)OCN(C)C 269982a_100102631434_100000140015 [0,2,0,0,0,0|0,0,0]=2 3311 B11R0.171 CCC(CC)N(C)COC(C)C 2230a_100000737045_100000709892 [0,2,0,0,0,0|2,0,0]=4 3312 B11R0.171 CCC(CC)N(C)COC(C)C 269982a_100000737045_100000709892 [0,2,0,0,0,0|2,0,0]=4 3313 B11R0.171 CCC(OC)C(=O)CCC(C)C 1458a_100000747056_100000210312 [0,2,0,0,0,0|2,0,0]=4 3314 B11R0.171 CCC(OC)C(=O)CCC(C)O 1458a_100000747056_100012276601 [0,2,0,0,0,0|2,0,0]=4 3315 B11R0.171 CCC(OC)C(=O)NCC(C)C 11a_100000210953_100000747056 [0,2,0,0,0,0|2,0,0]=4 3316 B11R0.171 CCC(OC)C(=O)NCC(C)C 1626a_100000210953_100000747056 [0,2,0,0,0,0|2,0,0]=4 3317 B11R0.171 CCC(OC)C(=O)NCC(C)C 240690a_100000210953_100000747056 [0,2,0,0,0,0|2,0,0]=4 3318 B11R0.171 CCC(OC)C(=O)NCC(C)C 527a_100000210953_100000747056 [0,2,0,0,0,0|2,0,0]=4 3319 B11R0.171 CCC(OC)C(=O)NCC(C)O 11a_100000210904_100000747056 [0,2,0,0,0,0|2,0,0]=4 3320 B11R0.171 CCC(OC)C(=O)NCC(C)O 240690a_100000210904_100000747056 [0,2,0,0,0,0|2,0,0]=4 3321 B11R0.171 CCC(OC)C(=O)NCC(C)O 527a_100000210904_100000747056 [0,2,0,0,0,0|2,0,0]=4 3322 B11R0.171 CCC(OC)C(=O)NCC(F)F 11a_100000765723_100000747056 [0,2,0,0,0,0|2,0,0]=4 3323 B11R0.171 CCC(OC)C(=O)NCC(F)F 1626a_100000765723_100000747056 [0,2,0,0,0,0|2,0,0]=4 3324 B11R0.171 CCC(OC)C(=O)NCC(F)F 240690a_100000765723_100000747056 [0,2,0,0,0,0|2,0,0]=4 3325 B11R0.171 CCC(OC)C(=O)NCC(F)F 527a_100000765723_100000747056 [0,2,0,0,0,0|2,0,0]=4 3326 B11R0.171 CCC(OC)C(=O)NNC(C)C 22a_100000741168_100000747056 [0,2,0,0,0,0|2,0,0]=4 3327 B11R0.171 CCN(CC)C(=O)C=CC(C)C 11a_100000724800_100016268746 [0,2,0,0,0,0|2,0,0]=4 3328 B11R0.171 CCN(CC)C(=O)C=CC(C)C 1626a_100000724800_100016268746 [0,2,0,0,0,0|2,0,0]=4 3329 B11R0.171 CCN(CC)C(=O)C=CC(C)C 240690a_100000724800_100016268746 [0,2,0,0,0,0|2,0,0]=4 3330 B11R0.171 CCN(CC)C(=O)CCC(=O)C 1458a_100000070787_100011194432 [0,2,0,0,0,0|2,0,0]=4 3331 B11R0.171 CCN(CC)C(=O)CCC(C)C 11a_100000724800_100000181311 [0,2,0,0,0,0|2,0,0]=4 3332 B11R0.171 CCN(CC)C(=O)CCC(C)C 1626a_100000724800_100000181311 [0,2,0,0,0,0|2,0,0]=4 3333 B11R0.171 CCN(CC)C(=O)CCC(C)C 240690a_100000724800_100000181311 [0,2,0,0,0,0|2,0,0]=4 3334 B11R0.171 CCN(CC)C(=O)CCC(C)C 527a_100000724800_100000181311 [0,2,0,0,0,0|2,0,0]=4 3335 B11R0.171 CCN(CC)C(=O)CCC(C)O 1626a_100000724800_100000718519 [0,2,0,0,0,0|2,0,0]=4 3336 B11R0.171 CCN(CC)C(=O)CCN(C)C 11a_100000724800_100000689311 [0,2,0,0,0,0|2,0,0]=4 3337 B11R0.171 CCN(CC)C(=O)CCN(C)C 2230a_100102631434_100011194432 [0,2,0,0,0,0|2,0,0]=4 3338 B11R0.171 CCN(CC)C(=O)CCN(C)C 240690a_100000724800_100000689311 [0,2,0,0,0,0|2,0,0]=4 3339 B11R0.171 CCN(CC)C(=O)CCN(C)C 269982a_100102631434_100011194432 [0,2,0,0,0,0|2,0,0]=4 3340 B11R0.171 CCN(CC)C(=O)CCN(C)C 527a_100000724800_100000689311 [0,2,0,0,0,0|2,0,0]=4 3341 B11R0.171 CCN(CC)C(=O)CC[S+](C)C 11a_100000724800_100009452791 [0,2,0,0,0,0|2,0,0]=4 3342 B11R0.171 CCN(CC)C(=O)CC[S+](C)C 1626a_100000724800_100009452791 [0,2,0,0,0,0|2,0,0]=4 3343 B11R0.171 CCN(CC)C(=O)CC[S+](C)C 240690a_100000724800_100009452791 [0,2,0,0,0,0|2,0,0]=4 3344 B11R0.171 CCN(CC)C(=O)CNC(C)C 2230a_100000174916_100000210206 [0,2,0,0,0,0|2,0,0]=4 3345 B11R0.171 CCN(CC)C(=O)CNC(C)C 2230a_100138425928_100000211521 [0,2,0,0,0,0|2,0,0]=4 3346 B11R0.171 CCN(CC)C(=O)CNC(C)C 34a_100138425928_100000211521 [0,2,0,0,0,0|2,0,0]=4 3347 B11R0.171 CCN(CC)C(=O)COC(=O)C 1626a_100000724800_100000183556 [0,2,0,0,0,0|1,0,1]=4 3348 B11R0.171 CCN(CC)C(=O)COC(=O)C 240690a_100000724800_100000183556 [0,2,0,0,0,0|1,0,1]=4 3349 B11R0.171 CCN(CC)C(=O)COC(=O)C 527a_100000724800_100000183556 [0,2,0,0,0,0|1,0,1]=4 3350 B11R0.171 CCN(CC)C(=O)COC(C)C 11a_100000724800_100000745533 [0,2,0,0,0,0|1,0,0]=3 3351 B11R0.171 CCN(CC)C(=O)COC(C)C 1626a_100000724800_100000745533 [0,2,0,0,0,0|1,0,0]=3 3352 B11R0.171 CCN(CC)C(=O)COC(C)C 240690a_100000724800_100000745533 [0,2,0,0,0,0|1,0,0]=3 3353 B11R0.171 CCN(CC)C(=O)COC(C)C 34a_100000212225_100000211521 [0,2,0,0,0,0|1,0,0]=3 3354 B11R0.171 CCN(CC)C(=O)COC(C)C 527a_100000724800_100000745533 [0,2,0,0,0,0|1,0,0]=3 3355 B11R0.171 CCN(CC)C(=O)COC(C)C 7a_200000238847_100000210206 [0,2,0,0,0,0|1,0,0]=3 3356 B11R0.171 CCN(CC)C(=O)COC(F)F 11a_100000724800_200000719455 [0,2,0,0,0,0|2,0,0]=4 3357 B11R0.171 CCN(CC)C(=O)COC(F)F 1626a_100000724800_200000719455 [0,2,0,0,0,0|2,0,0]=4 3358 B11R0.171 CCN(CC)C(=O)COC(F)F 240690a_100000724800_200000719455 [0,2,0,0,0,0|2,0,0]=4 3359 B11R0.171 CCN(CC)C(=O)COC(F)F 527a_100000724800_200000719455 [0,2,0,0,0,0|2,0,0]=4 3360 B11R0.171 CCN(CC)C(=O)CSC(C)C 11a_100000724800_100000241585 [0,2,0,0,0,0|1,1,0]=4 3361 B11R0.171 CCN(CC)C(=O)CSC(C)C 1626a_100000724800_100000241585 [0,2,0,0,0,0|1,1,0]=4 3362 B11R0.171 CCN(CC)C(=O)CSC(C)C 240690a_100000724800_100000241585 [0,2,0,0,0,0|1,1,0]=4 3363 B11R0.171 CCN(CC)C(=O)CSC(C)C 527a_100000724800_100000241585 [0,2,0,0,0,0|1,1,0]=4 3364 B11R0.171 CCN(CC)C(=O)CSC(C)C 62a_100000210206_100000211521 [0,2,0,0,0,0|1,1,0]=4 3365 B11R0.171 CCN(CC)C(=O)CSC(C)C 62a_100000211521_100000210206 [0,2,0,0,0,0|1,1,0]=4 3366 B11R0.171 CCN(CC)C(=O)NCC(C)C 2708a_100000210953_100000724800 [0,2,0,0,0,0|2,0,0]=4 3367 B11R0.171 CCN(CC)C(=O)NCC(C)C 273464a_100000210953_100000724800 [0,2,0,0,0,0|2,0,0]=4 3368 B11R0.171 CCN(CC)C(=O)NCC(C)O 273464a_100000210904_100000724800 [0,2,0,0,0,0|2,0,0]=4 3369 B11R0.171 CCN(CC)C(=O)NCC(F)F 273464a_100000765723_100000724800 [0,2,0,0,0,0|2,0,0]=4 3370 B11R0.171 CCN(CC)C(=O)OCC(=O)C 1458a_100000070787_100000140013 [0,2,0,0,0,0|1,0,0]=3 3371 B11R0.171 CCN(CC)C(=O)OCN(C)C 2230a_100102631434_100000140013 [0,2,0,0,0,0|1,0,0]=3 3372 B11R0.171 CCN(CC)C(=O)OCN(C)C 269982a_100102631434_100000140013 [0,2,0,0,0,0|1,0,0]=3 3373 B11R0.238 CCC(C(=O)CCCF)N(C)C 1458a_100000689100_100011934791 [0,2,0,0,0,0|2,0,0]=4 3374 B11R0.238 CCC(C(=O)CCCO)N(C)C 1458a_100000689100_100011215043 [0,2,0,0,0,0|2,0,0]=4 3375 B11R0.238 CCC(C(=O)CCOC)N(C)C 1458a_100000689100_100000233755 [0,2,0,0,0,0|2,0,0]=4 3376 B11R0.238 CCC(C(=O)CCSC)N(C)C 1458a_100000689100_100000751147 [0,2,0,0,0,0|2,0,0]=4 3377 B11R0.238 CCC(C(=O)NCCF)N(C)C 240690a_100000724931_100000689100 [0,2,0,0,0,0|2,0,0]=4 3378 B11R0.238 CCC(C(=O)NCCF)N(C)C 527a_100000724931_100000689100 [0,2,0,0,0,0|2,0,0]=4 3379 B11R0.238 CCC(C(=O)NCCO)N(C)C 240690a_100000210304_100000689100 [0,2,0,0,0,0|2,0,0]=4 3380 B11R0.238 CCC(C(=O)NCCO)N(C)C 527a_100000210304_100000689100 [0,2,0,0,0,0|2,0,0]=4 3381 B11R0.238 CCC=CC(=O)N(CC)C(C)C 11a_100000223864_100000212282 [0,2,0,0,0,0|2,0,0]=4 3382 B11R0.238 CCC=CC(=O)N(CC)C(C)C 1626a_100000223864_100000212282 [0,2,0,0,0,0|2,0,0]=4 3383 B11R0.238 CCC=CC(=O)N(CC)C(C)C 240690a_100000223864_100000212282 [0,2,0,0,0,0|2,0,0]=4 3384 B11R0.238 CCCCC(=O)C(CC)N(C)C 1458a_100000689100_100000210211 [0,2,0,0,0,0|2,0,0]=4 3385 B11R0.238 CCCCC(=O)N(CC)C(C)C 11a_100000223864_100000210183 [0,2,0,0,0,0|2,0,0]=4 3386 B11R0.238 CCCCC(=O)N(CC)C(C)C 1626a_100000223864_100000210183 [0,2,0,0,0,0|2,0,0]=4 3387 B11R0.238 CCCCC(=O)N(CC)C(C)C 240690a_100000223864_100000210183 [0,2,0,0,0,0|2,0,0]=4 3388 B11R0.238 CCCCC(=O)N(CC)C(C)C 527a_100000223864_100000210183 [0,2,0,0,0,0|2,0,0]=4 3389 B11R0.238 CCCNC(=O)C(CC)C(=O)C 1458a_100000070787_200011763335 [0,2,0,0,0,0|1,0,1]=4 3390 B11R0.238 CCCNC(=O)C(CC)N(C)C 2230a_100102631434_200011763335 [0,2,0,0,0,0|2,0,0]=4 3391 B11R0.238 CCCNC(=O)C(CC)N(C)C 240690a_100020643023_100000689100 [0,2,0,0,0,0|2,0,0]=4 3392 B11R0.238 CCCNC(=O)C(CC)N(C)C 269982a_100102631434_200011763335 [0,2,0,0,0,0|2,0,0]=4 3393 B11R0.238 CCCNC(=O)C(CC)N(C)C 527a_100020643023_100000689100 [0,2,0,0,0,0|2,0,0]=4 3394 B11R0.238 CCCNC(=O)N(CC)C(C)C 2708a_100020643023_100000223864 [0,2,0,0,0,0|2,0,0]=4 3395 B11R0.238 CCCNC(=O)N(CC)C(C)C 273464a_100020643023_100000223864 [0,2,0,0,0,0|2,0,0]=4 3396 B11R0.238 CCN(C(=O)CCOC)C(C)C 11a_100000223864_100000749529 [0,2,0,0,0,0|2,0,0]=4 3397 B11R0.238 CCN(C(=O)CCOC)C(C)C 1626a_100000223864_100000749529 [0,2,0,0,0,0|2,0,0]=4 3398 B11R0.238 CCN(C(=O)CCOC)C(C)C 240690a_100000223864_100000749529 [0,2,0,0,0,0|2,0,0]=4 3399 B11R0.238 CCN(C(=O)CCOC)C(C)C 527a_100000223864_100000749529 [0,2,0,0,0,0|2,0,0]=4 3400 B11R0.238 CCN(C(=O)CCSC)C(C)C 11a_100000223864_100000174002 [0,2,0,0,0,0|2,0,0]=4 3401 B11R0.238 CCN(C(=O)CCSC)C(C)C 1626a_100000223864_100000174002 [0,2,0,0,0,0|2,0,0]=4 3402 B11R0.238 CCN(C(=O)CCSC)C(C)C 240690a_100000223864_100000174002 [0,2,0,0,0,0|2,0,0]=4 3403 B11R0.238 CCN(C(=O)CCSC)C(C)C 527a_100000223864_100000174002 [0,2,0,0,0,0|2,0,0]=4 3404 B11R0.238 CCN(C(=O)NCCF)C(C)C 273464a_100000724931_100000223864 [0,2,0,0,0,0|2,0,0]=4 3405 B11R0.238 CCN(C(=O)NCCO)C(C)C 273464a_100000210304_100000223864 [0,2,0,0,0,0|2,0,0]=4 3406 B11R0.238 CCNCC(=O)N(CC)C(C)C 2230a_100015525214_100011282762 [0,2,0,0,0,0|2,0,0]=4 3407 B11R0.238 CCNNC(=O)C(CC)N(C)C 22a_100000756455_100000689100 [0,2,0,0,0,0|2,0,0]=4 3408 B11R0.238 CCOCC(=O)C(CC)C(=O)N 1458a_100000211967_100000750255 [0,2,0,0,0,0|1,0,1]=4 3409 B11R0.238 CCOCC(=O)N(CC)C(C)C 11a_100000223864_100000211967 [0,2,0,0,0,0|1,0,0]=3 3410 B11R0.238 CCOCC(=O)N(CC)C(C)C 1626a_100000223864_100000211967 [0,2,0,0,0,0|1,0,0]=3 3411 B11R0.238 CCOCC(=O)N(CC)C(C)C 240690a_100000223864_100000211967 [0,2,0,0,0,0|1,0,0]=3 3412 B11R0.238 CCOCC(=O)N(CC)C(C)C 34a_100121572206_100011282762 [0,2,0,0,0,0|1,0,0]=3 3413 B11R0.238 CCOCC(=O)N(CC)C(C)C 527a_100000223864_100000211967 [0,2,0,0,0,0|1,0,0]=3 3414 B11R0.238 CCSCC(=O)N(CC)C(C)C 11a_100000223864_100000230394 [0,2,0,0,0,0|1,1,0]=4 3415 B11R0.238 CCSCC(=O)N(CC)C(C)C 1626a_100000223864_100000230394 [0,2,0,0,0,0|1,1,0]=4 3416 B11R0.238 CCSCC(=O)N(CC)C(C)C 240690a_100000223864_100000230394 [0,2,0,0,0,0|1,1,0]=4 3417 B11R0.238 CCSCC(=O)N(CC)C(C)C 527a_100000223864_100000230394 [0,2,0,0,0,0|1,1,0]=4 3418 B11R0.238 CCSCC(=O)N(CC)C(C)C 62a_100000210202_100011282762 [0,2,0,0,0,0|1,1,0]=4 3419 B11R0.238 CCSCC(=O)N(CC)C(C)C 62a_100011282762_100000210202 [0,2,0,0,0,0|1,1,0]=4 3420 B11R0.18 C/C=C(\C)/C(=O)C(CC)CCC 1458a_100020587367_100011219200 [0,2,0,0,0,0|1,0,1]=4 3421 B11R0.18 CCC(C)C(=O)N(CC)CCO 240690a_100000210973_100011192722 [0,2,0,0,0,0|2,0,0]=4 3422 B11R0.18 CCC(C)C(=O)N(CC)CCO 527a_100000210973_100011192722 [0,2,0,0,0,0|2,0,0]=4 3423 B11R0.18 CCC(O)C(=O)N(CC)CCO 240690a_100000210973_100011196387 [0,2,0,0,0,0|2,0,0]=4 3424 B11R0.18 CCCC(CC)C(=O)C(=O)NC 1458a_100011218921_100011219200 [0,2,0,0,0,0|2,0,0]=4 3425 B11R0.18 CCCC(CC)C(=O)C(C)CC 1458a_100011192722_100011219200 [0,2,0,0,0,0|1,0,0]=3 3426 B11R0.18 CCCC(CC)C(=O)C(C)CC 1458a_100011416436_100000758301 [0,2,0,0,0,0|1,0,0]=3 3427 B11R0.18 CCCC(CC)C(=O)C(C)OC 1458a_100000743197_100011219200 [0,2,0,0,0,0|2,0,0]=4 3428 B11R0.18 CCCC(CC)C(=O)C(C)SC 1458a_100000149566_100011219200 [0,2,0,0,0,0|2,0,0]=4 3429 B11R0.18 CCCC(CC)C(=O)C(O)CC 1458a_100011196387_100011219200 [0,2,0,0,0,0|1,0,0]=3 3430 B11R0.18 CCCC(CC)C(=O)C(O)CO 1458a_100011215603_100011219200 [0,2,0,0,0,0|2,0,0]=4 3431 B11R0.18 CCCC(CC)C(=O)N(C)CC 11a_100000225621_100011416436 [0,2,0,0,0,0|1,0,0]=3 3432 B11R0.18 CCCC(CC)C(=O)N(C)CC 1626a_100000225621_100011416436 [0,2,0,0,0,0|1,0,0]=3 3433 B11R0.18 CCCC(CC)C(=O)N(C)CC 240690a_100000225621_100011416436 [0,2,0,0,0,0|1,0,0]=3 3434 B11R0.18 CCCC(CC)C(=O)N(C)CC 527a_100000225621_100011416436 [0,2,0,0,0,0|1,0,0]=3 3435 B11R0.18 CCCN(CC)C(=O)C(C)CC 11a_100000226822_100011192722 [0,2,0,0,0,0|2,0,0]=4 3436 B11R0.18 CCCN(CC)C(=O)C(C)CC 1626a_100000226822_100011192722 [0,2,0,0,0,0|2,0,0]=4 3437 B11R0.18 CCCN(CC)C(=O)C(C)CC 240690a_100000226822_100011192722 [0,2,0,0,0,0|2,0,0]=4 3438 B11R0.18 CCCN(CC)C(=O)C(C)CC 527a_100000226822_100011192722 [0,2,0,0,0,0|2,0,0]=4 3439 B11R0.18 CCCN(CC)C(=O)C(O)CC 240690a_100000226822_100011196387 [0,2,0,0,0,0|2,0,0]=4 3440 B11R0.53 C#CC(=O)C(CC)C(=O)OCC 1458a_100000211873_100000212269 [0,2,0,0,0,0|0,0,2]=4 3441 B11R0.53 C=CC(=O)C(CC)C(=O)OCC 1458a_100000185746_100000212269 [0,2,0,0,0,0|0,0,2]=4 3442 B11R0.53 CCC(C(=O)CCF)N(C)CC 1458a_100011345578_100011217306 [0,2,0,0,0,0|2,0,0]=4 3443 B11R0.53 CCC(C(=O)CCO)N(C)CC 1458a_100011345578_100000211926 [0,2,0,0,0,0|2,0,0]=4 3444 B11R0.53 CCC(C(=O)NNC)N(C)CC 22a_100016993582_100011345578 [0,2,0,0,0,0|2,0,0]=4 3445 B11R0.53 CCCC(=O)C(CC)C(=O)OC 1458a_100000211992_100000235869 [0,2,0,0,0,0|1,0,1]=4 3446 B11R0.53 CCCC(=O)C(CC)N(C)CC 1458a_100011345578_100000210303 [0,2,0,0,0,0|1,0,0]=3 3447 B11R0.53 CCCC(=O)N(CC)C(C)CC 11a_100000732650_100000211992 [0,2,0,0,0,0|2,0,0]=4 3448 B11R0.53 CCCC(=O)N(CC)C(C)CC 1626a_100000732650_100000211992 [0,2,0,0,0,0|2,0,0]=4 3449 B11R0.53 CCCC(=O)N(CC)C(C)CC 240690a_100000732650_100000211992 [0,2,0,0,0,0|2,0,0]=4 3450 B11R0.53 CCCC(=O)N(CC)C(C)CC 527a_100000732650_100000211992 [0,2,0,0,0,0|2,0,0]=4 3451 B11R0.53 CCCC(=O)N(CC)C(C)CO 240690a_100000731049_100000211992 [0,2,0,0,0,0|2,0,0]=4 3452 B11R0.53 CCCC(=O)N(CC)C(C)CO 527a_100000731049_100000211992 [0,2,0,0,0,0|2,0,0]=4 3453 B11R0.53 CCNC(=O)C(CC)N(C)CC 240690a_100015525214_100011345578 [0,2,0,0,0,0|1,0,0]=3 3454 B11R0.53 CCNC(=O)C(CC)N(C)CC 527a_100015525214_100011345578 [0,2,0,0,0,0|1,0,0]=3 3455 B11R0.53 CCNC(=O)N(CC)C(C)CC 2708a_100015525214_100000732650 [0,2,0,0,0,0|2,0,0]=4 3456 B11R0.53 CCNC(=O)N(CC)C(C)CC 273464a_100015525214_100000732650 [0,2,0,0,0,0|2,0,0]=4 3457 B11R0.53 CCOC(=O)C(CC)C(=O)CC 1458a_100000210414_100000212269 [0,2,0,0,0,0|0,0,0]=2 3458 B11R0.53 CCOC(=O)C(CC)C(=O)CO 1458a_100000210174_100000212269 [0,2,0,0,0,0|0,0,1]=3 3459 B11R0.53 CCOC(=O)C(CC)N(C)CC 2230a_100000225621_100000212269 [0,2,0,0,0,0|0,0,0]=2 3460 B11R0.53 CCOC(=O)C(CC)N(C)CC 269982a_100000225621_100000212269 [0,2,0,0,0,0|0,0,0]=2 3461 B11R0.53 CCOC(=O)C(NC)C(=O)CC 7a_106832991635_100000687759 [0,2,0,0,0,0|1,0,0]=3 3462 B11R0.53 CCOC(=O)C(SC)C(=O)CC 1458a_100000210414_100009893047 [0,2,0,0,0,0|1,0,0]=3 3463 B11R0.53 CCOC(=O)C(SC)C(=O)CC 62a_100000687759_200000210301 [0,2,0,0,0,0|1,0,0]=3 3464 B11R0.53 CCOC(=O)C(SC)C(=O)CC 62a_200000210301_100000687759 [0,2,0,0,0,0|1,0,0]=3 3465 B11R0.53 CCOC(=O)C(SC)C(=O)CO 1458a_100000210174_100009893047 [0,2,0,0,0,0|1,0,1]=4 3466 B11R0.53 CCOC(=O)C(SC)N(C)CC 269982a_100000225621_100009893047 [0,2,0,0,0,0|1,0,0]=3 3467 B11R0.53 CCOC(=O)C(S[13CH3])C(=O)CC 62a_100000687759_200025704644 [0,2,0,0,0,0|1,0,0]=3 3468 B11R0.53 CCOC(=O)C(S[13CH3])C(=O)CC 62a_200025704644_100000687759 [0,2,0,0,0,0|1,0,0]=3 3469 B11R0.56 C=C(C)CN(CC)C(=O)CCC 11a_100000211296_100000211992 [0,2,0,0,0,0|2,0,0]=4 3470 B11R0.56 C=C(C)CN(CC)C(=O)CCC 1626a_100000211296_100000211992 [0,2,0,0,0,0|2,0,0]=4 3471 B11R0.56 C=C(C)CN(CC)C(=O)CCC 527a_100000211296_100000211992 [0,2,0,0,0,0|2,0,0]=4 3472 B11R0.56 C=C(C)CN(CC)C(=O)NCC 2708a_100015525214_100000211296 [0,2,0,0,0,0|2,0,0]=4 3473 B11R0.56 C=C(C)CN(CC)C(=O)NCC 273464a_100015525214_100000211296 [0,2,0,0,0,0|2,0,0]=4 3474 B11R0.56 CCCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000210303 [0,2,0,0,0,0|1,0,1]=4 3475 B11R0.56 CCCC(=O)N(CC)CC(C)C 11a_100000738554_100000211992 [0,2,0,0,0,0|2,0,0]=4 3476 B11R0.56 CCCC(=O)N(CC)CC(C)C 1626a_100000738554_100000211992 [0,2,0,0,0,0|2,0,0]=4 3477 B11R0.56 CCCC(=O)N(CC)CC(C)C 240690a_100000738554_100000211992 [0,2,0,0,0,0|2,0,0]=4 3478 B11R0.56 CCCC(=O)N(CC)CC(C)C 527a_100000738554_100000211992 [0,2,0,0,0,0|2,0,0]=4 3479 B11R0.56 CCCC(=O)N(CC)C[C@H](C)O 240690a_100000729506_100000211992 [0,2,0,0,0,0|2,0,0]=4 3480 B11R0.56 CCCC(=O)N(CC)C[C@H](C)O 527a_100000729506_100000211992 [0,2,0,0,0,0|2,0,0]=4 3481 B11R0.56 CCNC(=O)C(CC)NC(=O)C 11a_100015525214_100000195128 [0,2,0,0,0,0|1,0,1]=4 3482 B11R0.56 CCNC(=O)C(CC)NC(=O)C 240690a_100015525214_100000195128 [0,2,0,0,0,0|1,0,1]=4 3483 B11R0.56 CCNC(=O)C(CC)NC(=O)C 527a_100015525214_100000195128 [0,2,0,0,0,0|1,0,1]=4 3484 B11R0.56 CCNC(=O)N(CC)CC(C)C 2708a_100015525214_100000738554 [0,2,0,0,0,0|2,0,0]=4 3485 B11R0.56 CCNC(=O)N(CC)CC(C)C 273464a_100015525214_100000738554 [0,2,0,0,0,0|2,0,0]=4 3486 B11R0.56 CCNC(=O)N(CC)C[C@H](C)O 2708a_100015525214_100000729506 [0,2,0,0,0,0|2,0,0]=4 3487 B11R0.56 CCNC(=O)N(CC)C[C@H](C)O 273464a_100015525214_100000729506 [0,2,0,0,0,0|2,0,0]=4 3488 B11R0.56 CCOC(=O)C(C=O)SC(C)C 62a_100000053139_100000210206 [0,2,0,0,0,0|1,0,1]=4 3489 B11R0.56 CCOC(=O)C(C=O)SC(C)C 62a_100000210206_100000053139 [0,2,0,0,0,0|1,0,1]=4 3490 B11R0.56 CCOC(=O)C(CC(C)C)NC 2230a_106832991635_100010269446 [0,2,0,0,0,0|1,0,0]=3 3491 B11R0.56 CCOC(=O)C(CC(C)C)NC 34a_100102657272_100010269446 [0,2,0,0,0,0|1,0,0]=3 3492 B11R0.56 CCOC(=O)C(CC(C)C)NC 7a_106832991635_100010269446 [0,2,0,0,0,0|1,0,0]=3 3493 B11R0.56 CCOC(=O)C(CC(C)C)OC 34a_100011626094_200000210301 [0,2,0,0,0,0|1,0,0]=3 3494 B11R0.56 CCOC(=O)C(CC(C)C)OC 34a_100138415774_100010269446 [0,2,0,0,0,0|1,0,0]=3 3495 B11R0.56 CCOC(=O)C(CC(C)C)OC 7a_100011626094_200000210301 [0,2,0,0,0,0|1,0,0]=3 3496 B11R0.56 CCOC(=O)C(CC(C)C)O[13CH3] 34a_100011626094_200025704644 [0,2,0,0,0,0|1,0,0]=3 3497 B11R0.56 CCOC(=O)C(CC(C)C)O[13CH3] 7a_100011626094_200025704644 [0,2,0,0,0,0|1,0,0]=3 3498 B11R0.56 CCOC(=O)C(CC(C)C)SC 62a_100010269446_200000210301 [0,2,0,0,0,0|1,0,0]=3 3499 B11R0.56 CCOC(=O)C(CC(C)C)SC 62a_200000210301_100010269446 [0,2,0,0,0,0|1,0,0]=3 3500 B11R0.56 CCOC(=O)C(CC(C)C)S[13CH3] 62a_100010269446_200025704644 [0,2,0,0,0,0|1,0,0]=3 3501 B11R0.56 CCOC(=O)C(CC(C)C)S[13CH3] 62a_200025704644_100010269446 [0,2,0,0,0,0|1,0,0]=3 3502 B11R0.56 CCOC(=O)C(CC)NC(C)C 2230a_100138425928_100000212269 [0,2,0,0,0,0|0,0,0]=2 3503 B11R0.56 CCOC(=O)C(CC)NC(C)C 34a_100138425928_100000212269 [0,2,0,0,0,0|0,0,0]=2 3504 B11R0.56 CCOC(=O)C(CC)OC(C)C 34a_100000212225_100000212269 [0,2,0,0,0,0|0,0,0]=2 3505 B11R0.56 CCOC(=O)C(CC)OC(C)C 34a_100011216719_100000210206 [0,2,0,0,0,0|0,0,0]=2 3506 B11R0.56 CCOC(=O)C(CC)OC(C)C 7a_100011216719_100000210206 [0,2,0,0,0,0|0,0,0]=2 3507 B11R0.56 CCOC(=O)C(CC)SC(C)C 62a_100000210206_100000212269 [0,2,0,0,0,0|0,0,0]=2 3508 B11R0.56 CCOC(=O)C(CC)SC(C)C 62a_100000212269_100000210206 [0,2,0,0,0,0|0,0,0]=2 3509 B11R0.56 CCOC(=O)C(NC(C)C)SC 34a_100138425928_100009893047 [0,2,0,0,0,0|1,0,0]=3 3510 B11R0.56 CCOC(=O)C(OC(C)C)SC 34a_100000212225_100009893047 [0,2,0,0,0,0|1,0,0]=3 3511 B11R0.56 CCOC(=O)C(SC)SC(C)C 62a_100000210206_100009893047 [0,2,0,0,0,0|1,0,0]=3 3512 B11R0.56 CCOC(=O)C(SC)SC(C)C 62a_100009893047_100000210206 [0,2,0,0,0,0|1,0,0]=3 3513 B11R0.56 CCOC(=O)[C@@H](CO)NC(=O)C 188690a_100016988294_100015343762 [0,2,0,0,0,0|1,0,1]=4 3514 B11R0.56 CCOC(=O)[C@H](CC)NC(=O)C 188690a_100025709693_100015343762 [0,2,0,0,0,0|0,0,1]=3 3515 B11R0.57 CCCC(=O)C(SCC)C(C)C 1458a_100000750736_100000210303 [0,2,0,0,0,0|1,0,0]=3 3516 B11R0.57 CCCC(=O)N(CCC)C(C)C 11a_106256033942_100000211992 [0,2,0,0,0,0|2,0,0]=4 3517 B11R0.57 CCCC(=O)N(CCC)C(C)C 1626a_106256033942_100000211992 [0,2,0,0,0,0|2,0,0]=4 3518 B11R0.57 CCCC(=O)N(CCC)C(C)C 240690a_106256033942_100000211992 [0,2,0,0,0,0|2,0,0]=4 3519 B11R0.57 CCCC(=O)N(CCC)C(C)C 527a_106256033942_100000211992 [0,2,0,0,0,0|2,0,0]=4 3520 B11R0.57 CCCC(=O)N(CCO)C(C)C 240690a_100000224655_100000211992 [0,2,0,0,0,0|2,0,0]=4 3521 B11R0.57 CCCC(C(=O)C)C(=O)OCC 1458a_100000070787_100000695697 [0,2,0,0,0,0|0,0,1]=3 3522 B11R0.57 CCCC(C(=O)OCC)N(C)C 2230a_100102631434_100000695697 [0,2,0,0,0,0|1,0,0]=3 3523 B11R0.57 CCCC(C(=O)OCC)N(C)C 269982a_100102631434_100000695697 [0,2,0,0,0,0|1,0,0]=3 3524 B11R0.57 CCCN(C(=O)NCC)C(C)C 2708a_100015525214_106256033942 [0,2,0,0,0,0|2,0,0]=4 3525 B11R0.57 CCCN(C(=O)NCC)C(C)C 273464a_100015525214_106256033942 [0,2,0,0,0,0|2,0,0]=4 3526 B11R0.57 CCNC(=O)C(SCC)C(C)C 11a_100015525214_100000750736 [0,2,0,0,0,0|1,0,0]=3 3527 B11R0.57 CCNC(=O)C(SCC)C(C)C 240690a_100015525214_100000750736 [0,2,0,0,0,0|1,0,0]=3 3528 B11R0.57 CCNC(=O)C(SCC)C(C)C 527a_100015525214_100000750736 [0,2,0,0,0,0|1,0,0]=3 3529 B11R0.57 CCNC(=O)N(CCO)C(C)C 2708a_100015525214_100000224655 [0,2,0,0,0,0|2,0,0]=4 3530 B11R0.57 CCOC(=O)C(OCC)C(=O)C 34a_100121572206_100009831564 [0,2,0,0,0,0|0,0,1]=3 3531 B11R0.57 CCOC(=O)C(OCC)C(C)C 34a_100121572206_100000740032 [0,2,0,0,0,0|0,0,0]=2 3532 B11R0.57 CCOC(=O)C(SCC)C(=O)C 62a_100000210202_100000211040 [0,2,0,0,0,0|0,0,1]=3 3533 B11R0.57 CCOC(=O)C(SCC)C(=O)C 62a_100000211040_100000210202 [0,2,0,0,0,0|0,0,1]=3 3534 B11R0.57 CCOC(=O)C(SCC)C(C)C 62a_100000210202_100000740032 [0,2,0,0,0,0|0,0,0]=2 3535 B11R0.57 CCOC(=O)C(SCC)C(C)C 62a_100000740032_100000210202 [0,2,0,0,0,0|0,0,0]=2 3536 B11R0.57 CCOC(=O)C(SCF)C(=O)C 62a_100000211040_100015361967 [0,2,0,0,0,0|1,0,1]=4 3537 B11R0.57 CCOC(=O)C(SCF)C(=O)C 62a_100015361967_100000211040 [0,2,0,0,0,0|1,0,1]=4 3538 B11R0.57 CCOC(=O)C(SCF)C(C)C 62a_100000740032_100015361967 [0,2,0,0,0,0|1,0,0]=3 3539 B11R0.57 CCOC(=O)C(SCF)C(C)C 62a_100015361967_100000740032 [0,2,0,0,0,0|1,0,0]=3 3540 B11R0.57 CCSC(C(=O)CCF)C(C)C 1458a_100000750736_100011217306 [0,2,0,0,0,0|2,0,0]=4 3541 B11R0.57 CCSC(C(=O)CCO)C(C)C 1458a_100000750736_100000211926 [0,2,0,0,0,0|2,0,0]=4 3542 B11R0.57 CCSC(C(=O)NNC)C(C)C 22a_100016993582_100000750736 [0,2,0,0,0,0|2,0,0]=4 3543 B11R0.61 CC#CC(=O)C(CCC)CCC 1458a_100000763181_200011218217 [0,2,0,0,0,0|1,0,1]=4 3544 B11R0.61 CC=CC(=O)C(CCC)CCC 1458a_100000210699_200011218217 [0,2,0,0,0,0|1,0,1]=4 3545 B11R0.61 CCCC(=O)C(CCC)CCC 1458a_100000211992_200011218217 [0,2,0,0,0,0|1,0,0]=3 3546 B11R0.61 CCCC(=O)C(CCC)CCC 1458a_100011215354_100000210303 [0,2,0,0,0,0|1,0,0]=3 3547 B11R0.61 CCCC(=O)C(CCC)OCC 34a_200011216804_100000210202 [0,2,0,0,0,0|1,0,0]=3 3548 B11R0.61 CCCC(=O)C(CCC)OCC 7a_200011216804_100000210202 [0,2,0,0,0,0|1,0,0]=3 3549 B11R0.61 CCCC(=O)C(CCC)OCF 34a_200011216804_100015361967 [0,2,0,0,0,0|2,0,0]=4 3550 B11R0.61 CCCC(=O)C(CCC)OCF 7a_200011216804_100015361967 [0,2,0,0,0,0|2,0,0]=4 3551 B11R0.61 CCCC(=O)C(OCC)OCC 1458a_100000082760_100000210303 [0,2,0,0,0,0|1,0,0]=3 3552 B11R0.61 CCCC(=O)N(CCC)CCC 11a_100000210455_100000211992 [0,2,0,0,0,0|2,0,0]=4 3553 B11R0.61 CCCC(=O)N(CCC)CCC 1626a_100000210455_100000211992 [0,2,0,0,0,0|2,0,0]=4 3554 B11R0.61 CCCC(=O)N(CCC)CCC 240690a_100000210455_100000211992 [0,2,0,0,0,0|2,0,0]=4 3555 B11R0.61 CCCC(=O)N(CCC)CCC 527a_100000210455_100000211992 [0,2,0,0,0,0|2,0,0]=4 3556 B11R0.61 CCCC(=O)N(CCC)CCO 240690a_100000211420_100000211992 [0,2,0,0,0,0|2,0,0]=4 3557 B11R0.61 CCCC(=O)N(CCO)CCO 240690a_100000210587_100000211992 [0,2,0,0,0,0|2,0,0]=4 3558 B11R0.61 CCCC(CCC)C(=O)CCF 1458a_100011215354_100011217306 [0,2,0,0,0,0|2,0,0]=4 3559 B11R0.61 CCCC(CCC)C(=O)CCO 1458a_100011215354_100000211926 [0,2,0,0,0,0|2,0,0]=4 3560 B11R0.61 CCCC(CCC)C(=O)CCO 1458a_100011216618_200011218217 [0,2,0,0,0,0|2,0,0]=4 3561 B11R0.61 CCCC(CCC)C(=O)COC 1458a_100000210968_200011218217 [0,2,0,0,0,0|2,0,0]=4 3562 B11R0.61 CCCC(CCC)C(=O)CSC 1458a_100000184570_200011218217 [0,2,0,0,0,0|2,0,0]=4 3563 B11R0.61 CCCC(CCC)C(=O)NCC 11a_100015525214_100011215354 [0,2,0,0,0,0|1,0,0]=3 3564 B11R0.61 CCCC(CCC)C(=O)NCC 240690a_100015525214_100011215354 [0,2,0,0,0,0|1,0,0]=3 3565 B11R0.61 CCCC(CCC)C(=O)NCC 527a_100015525214_100011215354 [0,2,0,0,0,0|1,0,0]=3 3566 B11R0.61 CCCC(CCC)C(=O)NNC 22a_100016993582_100011215354 [0,2,0,0,0,0|2,0,0]=4 3567 B11R0.61 CCCC(NCC)C(=O)OCC 2230a_100015525214_100000695697 [0,2,0,0,0,0|0,0,0]=2 3568 B11R0.61 CCCC(OCC)C(=O)OCC 34a_100121572206_100000695697 [0,2,0,0,0,0|0,0,0]=2 3569 B11R0.61 CCCC(OCC)C(=O)OCC 34a_200011218214_100000210202 [0,2,0,0,0,0|0,0,0]=2 3570 B11R0.61 CCCC(OCC)C(=O)OCC 7a_200011218214_100000210202 [0,2,0,0,0,0|0,0,0]=2 3571 B11R0.61 CCCC(OCF)C(=O)OCC 34a_200011218214_100015361967 [0,2,0,0,0,0|1,0,0]=3 3572 B11R0.61 CCCC(OCF)C(=O)OCC 7a_200011218214_100015361967 [0,2,0,0,0,0|1,0,0]=3 3573 B11R0.61 CCCC(SCC)C(=O)OCC 62a_100000210202_100000695697 [0,2,0,0,0,0|0,0,0]=2 3574 B11R0.61 CCCC(SCC)C(=O)OCC 62a_100000695697_100000210202 [0,2,0,0,0,0|0,0,0]=2 3575 B11R0.61 CCCC(SCF)C(=O)OCC 62a_100000695697_100015361967 [0,2,0,0,0,0|1,0,0]=3 3576 B11R0.61 CCCC(SCF)C(=O)OCC 62a_100015361967_100000695697 [0,2,0,0,0,0|1,0,0]=3 3577 B11R0.61 CCCN(CCC)C(=O)NCC 2708a_100015525214_100000210455 [0,2,0,0,0,0|2,0,0]=4 3578 B11R0.61 CCCN(CCC)C(=O)NCC 273464a_100015525214_100000210455 [0,2,0,0,0,0|2,0,0]=4 3579 B11R0.61 CCCN(CCO)C(=O)NCC 2708a_100015525214_100000211420 [0,2,0,0,0,0|2,0,0]=4 3580 B11R0.61 CCCN(CCO)C(=O)NCC 273464a_100015525214_100000211420 [0,2,0,0,0,0|2,0,0]=4 3581 B11R0.61 CCNC(=O)C(OCC)OCC 11a_100015525214_100000082760 [0,2,0,0,0,0|1,0,0]=3 3582 B11R0.61 CCNC(=O)C(OCC)OCC 240690a_100015525214_100000082760 [0,2,0,0,0,0|1,0,0]=3 3583 B11R0.61 CCNC(=O)C(OCC)OCC 527a_100015525214_100000082760 [0,2,0,0,0,0|1,0,0]=3 3584 B11R0.61 CCNC(=O)N(CCO)CCO 2708a_100015525214_100000210587 [0,2,0,0,0,0|2,0,0]=4 3585 B11R0.61 CCNC(=O)N(CCO)CCO 273464a_100015525214_100000210587 [0,2,0,0,0,0|2,0,0]=4 3586 B11R0.61 CCOC(=O)C(OCC)OCC 34a_100121572206_100000033883 [0,2,0,0,0,0|0,0,0]=2 3587 B11R0.61 CCOC(=O)C(OCC)SCC 62a_100000033883_100000210202 [0,2,0,0,0,0|0,0,0]=2 3588 B11R0.61 CCOC(=O)C(OCC)SCC 62a_100000210202_100000033883 [0,2,0,0,0,0|0,0,0]=2 3589 B11R0.61 CCOC(=O)C(OCC)SCF 62a_100000033883_100015361967 [0,2,0,0,0,0|1,0,0]=3 3590 B11R0.61 CCOC(=O)C(OCC)SCF 62a_100015361967_100000033883 [0,2,0,0,0,0|1,0,0]=3 3591 B11R0.61 CCOC(C)C(OCC)OCC 34a_100121572206_100009815656 [0,2,0,0,0,0|1,0,1]=4 3592 B11R0.61 CCOC(OCC)C(=O)CCF 1458a_100000082760_100011217306 [0,2,0,0,0,0|2,0,0]=4 3593 B11R0.61 CCOC(OCC)C(=O)CCO 1458a_100000082760_100000211926 [0,2,0,0,0,0|2,0,0]=4 3594 B11R0.61 CCOC(OCC)C(=O)NNC 22a_100016993582_100000082760 [0,2,0,0,0,0|2,0,0]=4 3595 B11R0.133 C=C(C)CC(=O)C(CC)CCC 1458a_100011416436_100000748629 [0,2,0,0,0,0|1,0,1]=4 3596 B11R0.133 CCC(SCF)C(=O)NC(C)C 62a_100015361967_200011763342 [0,2,0,0,0,0|2,0,0]=4 3597 B11R0.133 CCC(SCF)C(=O)NC(C)C 62a_200011763342_100015361967 [0,2,0,0,0,0|2,0,0]=4 3598 B11R0.133 CCCC(CC)C(=O)C=C(C)C 1458a_100000211388_100011219200 [0,2,0,0,0,0|1,0,1]=4 3599 B11R0.133 CCCC(CC)C(=O)C=C(C)Cl 1458a_200042562850_100011219200 [0,2,0,0,0,0|1,0,1]=4 3600 B11R0.133 CCCC(CC)C(=O)C=C(C)I 1458a_100025716642_100011219200 [0,2,0,0,0,0|1,0,1]=4 3601 B11R0.133 CCCC(CC)C(=O)CC(C)C 1458a_100000210554_100011219200 [0,2,0,0,0,0|1,0,0]=3 3602 B11R0.133 CCCC(CC)C(=O)CC(C)C 1458a_100011416436_100000210624 [0,2,0,0,0,0|1,0,0]=3 3603 B11R0.133 CCCC(CC)C(=O)CC(C)O 1458a_100011416436_100011218427 [0,2,0,0,0,0|1,0,0]=3 3604 B11R0.133 CCCC(CC)C(=O)CC(F)F 1458a_100011416436_100011934356 [0,2,0,0,0,0|2,0,0]=4 3605 B11R0.133 CCCC(CC)C(=O)CN(C)C 1458a_100000750896_100011219200 [0,2,0,0,0,0|2,0,0]=4 3606 B11R0.133 CCCC(CC)C(=O)C[C@@H](C)O 1458a_100011933948_100011219200 [0,2,0,0,0,0|1,0,0]=3 3607 B11R0.133 CCCC(CC)C(=O)C[S+](C)C 1458a_200159257847_100011219200 [0,2,0,0,0,0|2,0,0]=4 3608 B11R0.133 CCCC(CC)C(=O)NC(C)C 11a_100138425928_100011416436 [0,2,0,0,0,0|1,0,0]=3 3609 B11R0.133 CCCC(CC)C(=O)NC(C)C 1626a_100138425928_100011416436 [0,2,0,0,0,0|1,0,0]=3 3610 B11R0.133 CCCC(CC)C(=O)NC(C)C 240690a_100138425928_100011416436 [0,2,0,0,0,0|1,0,0]=3 3611 B11R0.133 CCCC(CC)C(=O)NC(C)C 527a_100138425928_100011416436 [0,2,0,0,0,0|1,0,0]=3 3612 B11R0.133 CCCN(CC)C(=O)CC(C)C 11a_100000226822_100000210554 [0,2,0,0,0,0|2,0,0]=4 3613 B11R0.133 CCCN(CC)C(=O)CC(C)C 1626a_100000226822_100000210554 [0,2,0,0,0,0|2,0,0]=4 3614 B11R0.133 CCCN(CC)C(=O)CC(C)C 240690a_100000226822_100000210554 [0,2,0,0,0,0|2,0,0]=4 3615 B11R0.133 CCCN(CC)C(=O)CC(C)C 527a_100000226822_100000210554 [0,2,0,0,0,0|2,0,0]=4 3616 B11R0.133 CCCN(CC)C(=O)C[C@@H](C)O 240690a_100000226822_100011933948 [0,2,0,0,0,0|2,0,0]=4 3617 B11R0.133 CCCN(CC)C(=O)NC(C)C 2708a_100138425928_100000226822 [0,2,0,0,0,0|2,0,0]=4 3618 B11R0.133 CCCN(CC)C(=O)NC(C)C 273464a_100138425928_100000226822 [0,2,0,0,0,0|2,0,0]=4 3619 B11R0.133 CCN(CCO)C(=O)CC(C)C 240690a_100000210973_100000210554 [0,2,0,0,0,0|2,0,0]=4 3620 B11R0.133 CCN(CCO)C(=O)CC(C)C 527a_100000210973_100000210554 [0,2,0,0,0,0|2,0,0]=4 3621 B11R0.133 CCN(CCO)C(=O)C[C@@H](C)O 240690a_100000210973_100011933948 [0,2,0,0,0,0|2,0,0]=4 3622 B11R0.133 CCN(CCO)C(=O)NC(C)C 2708a_100138425928_100000210973 [0,2,0,0,0,0|2,0,0]=4 3623 B11R0.133 CCN(CCO)C(=O)NC(C)C 273464a_100138425928_100000210973 [0,2,0,0,0,0|2,0,0]=4 3624 B11R0.133 CCNC(CC)C(=O)NC(C)C 2230a_100015525214_200011763342 [0,2,0,0,0,0|1,0,0]=3 3625 B11R0.133 CCOC(CC)C(=O)NC(C)C 34a_100121572206_200011763342 [0,2,0,0,0,0|1,0,0]=3 3626 B11R0.133 CCSC(CC)C(=O)NC(C)C 62a_100000210202_200011763342 [0,2,0,0,0,0|1,0,0]=3 3627 B11R0.133 CCSC(CC)C(=O)NC(C)C 62a_200011763342_100000210202 [0,2,0,0,0,0|1,0,0]=3 3628 B11R0.191 C#CCNC(CC)C(=O)OCC 34a_100000212058_100000212269 [0,2,0,0,0,0|0,0,1]=3 3629 B11R0.191 C#CCNC(SC)C(=O)OCC 34a_100000212058_100009893047 [0,2,0,0,0,0|1,0,1]=4 3630 B11R0.191 C#CCOC(CC)C(=O)OCC 34a_100000210247_100000212269 [0,2,0,0,0,0|0,0,1]=3 3631 B11R0.191 C#CCOC(CC)C(=O)OCC 34a_100011216719_100000184674 [0,2,0,0,0,0|0,0,1]=3 3632 B11R0.191 C#CCOC(CC)C(=O)OCC 7a_100011216719_100000038162 [0,2,0,0,0,0|0,0,1]=3 3633 B11R0.191 C#CCOC(SC)C(=O)OCC 34a_100000210247_100009893047 [0,2,0,0,0,0|1,0,1]=4 3634 B11R0.191 C#CCSC(CC)C(=O)OCC 62a_100000038162_100000212269 [0,2,0,0,0,0|0,0,1]=3 3635 B11R0.191 C#CCSC(SC)C(=O)OCC 62a_100000038162_100009893047 [0,2,0,0,0,0|1,0,1]=4 3636 B11R0.191 C=CCNC(CC)C(=O)OCC 2230a_100020586998_100000212269 [0,2,0,0,0,0|0,0,1]=3 3637 B11R0.191 C=CCOC(CC)C(=O)OCC 34a_100011216719_100015514636 [0,2,0,0,0,0|0,0,1]=3 3638 B11R0.191 C=CCOC(CC)C(=O)OCC 34a_200000210373_100000212269 [0,2,0,0,0,0|0,0,1]=3 3639 B11R0.191 C=CCOC(CC)C(=O)OCC 7a_100011216719_100015514636 [0,2,0,0,0,0|0,0,1]=3 3640 B11R0.191 C=CCOC(SC)C(=O)OCC 34a_200000210373_100009893047 [0,2,0,0,0,0|1,0,1]=4 3641 B11R0.191 C=CCSC(CC)C(=O)OCC 62a_100000210623_100000212269 [0,2,0,0,0,0|0,0,1]=3 3642 B11R0.191 C=CCSC(CC)C(=O)OCC 62a_100000212269_100000210623 [0,2,0,0,0,0|0,0,1]=3 3643 B11R0.191 C=CCSC(SC)C(=O)OCC 62a_100000210623_100009893047 [0,2,0,0,0,0|1,0,1]=4 3644 B11R0.191 C=CCSC(SC)C(=O)OCC 62a_100009893047_100000210623 [0,2,0,0,0,0|1,0,1]=4 3645 B11R0.191 CC#CC(=O)C(CC)CCCC 1458a_100000763181_200011216223 [0,2,0,0,0,0|1,0,1]=4 3646 B11R0.191 CC=CC(=O)C(CC)CCCC 1458a_100000210699_200011216223 [0,2,0,0,0,0|1,0,1]=4 3647 B11R0.191 CCCC(=O)N(CC)CCC#N 11a_100000226048_100000211992 [0,2,0,0,0,0|2,0,0]=4 3648 B11R0.191 CCCC(=O)N(CC)CCC#N 1626a_100000226048_100000211992 [0,2,0,0,0,0|2,0,0]=4 3649 B11R0.191 CCCC(=O)N(CC)CCC#N 240690a_100000226048_100000211992 [0,2,0,0,0,0|2,0,0]=4 3650 B11R0.191 CCCC(=O)N(CC)CCC#N 527a_100000226048_100000211992 [0,2,0,0,0,0|2,0,0]=4 3651 B11R0.191 CCCC(=O)N(CC)CCOC 11a_100000731262_100000211992 [0,2,0,0,0,0|2,0,0]=4 3652 B11R0.191 CCCC(=O)N(CC)CCOC 1626a_100000731262_100000211992 [0,2,0,0,0,0|2,0,0]=4 3653 B11R0.191 CCCC(=O)N(CC)CCOC 240690a_100000731262_100000211992 [0,2,0,0,0,0|2,0,0]=4 3654 B11R0.191 CCCC(=O)N(CC)CCOC 527a_100000731262_100000211992 [0,2,0,0,0,0|2,0,0]=4 3655 B11R0.191 CCCCC(CC)C(=O)CCC 1458a_100000211130_100000210303 [0,2,0,0,0,0|1,0,0]=3 3656 B11R0.191 CCCCC(CC)C(=O)CCC 1458a_100000211992_200011216223 [0,2,0,0,0,0|1,0,0]=3 3657 B11R0.191 CCCCC(CC)C(=O)CCF 1458a_100000211130_100011217306 [0,2,0,0,0,0|2,0,0]=4 3658 B11R0.191 CCCCC(CC)C(=O)CCO 1458a_100000211130_100000211926 [0,2,0,0,0,0|2,0,0]=4 3659 B11R0.191 CCCCC(CC)C(=O)CCO 1458a_100011216618_200011216223 [0,2,0,0,0,0|2,0,0]=4 3660 B11R0.191 CCCCC(CC)C(=O)COC 1458a_100000210968_200011216223 [0,2,0,0,0,0|2,0,0]=4 3661 B11R0.191 CCCCC(CC)C(=O)CSC 1458a_100000184570_200011216223 [0,2,0,0,0,0|2,0,0]=4 3662 B11R0.191 CCCCC(CC)C(=O)NCC 11a_100015525214_100000211130 [0,2,0,0,0,0|1,0,0]=3 3663 B11R0.191 CCCCC(CC)C(=O)NCC 240690a_100015525214_100000211130 [0,2,0,0,0,0|1,0,0]=3 3664 B11R0.191 CCCCC(CC)C(=O)NCC 527a_100015525214_100000211130 [0,2,0,0,0,0|1,0,0]=3 3665 B11R0.191 CCCCC(CC)C(=O)NNC 22a_100016993582_100000211130 [0,2,0,0,0,0|2,0,0]=4 3666 B11R0.191 CCCCC(CC)C(C)OCC 34a_200011290779_100000210202 [0,2,0,0,0,0|1,0,1]=4 3667 B11R0.191 CCCCC(CC)C(C)OCC 7a_200011290779_100000210202 [0,2,0,0,0,0|1,0,1]=4 3668 B11R0.191 CCCCC(NC)C(=O)OCC 2230a_106832991635_200009813700 [0,2,0,0,0,0|1,0,0]=3 3669 B11R0.191 CCCCC(NC)C(=O)OCC 34a_100102657272_200009813700 [0,2,0,0,0,0|1,0,0]=3 3670 B11R0.191 CCCCC(NC)C(=O)OCC 7a_106832991635_200009813700 [0,2,0,0,0,0|1,0,0]=3 3671 B11R0.191 CCCCC(OC)C(=O)OCC 34a_100138415774_200009813700 [0,2,0,0,0,0|1,0,0]=3 3672 B11R0.191 CCCCC(OC)C(=O)OCC 34a_200011215408_200000210301 [0,2,0,0,0,0|1,0,0]=3 3673 B11R0.191 CCCCC(OC)C(=O)OCC 7a_200011215408_200000210301 [0,2,0,0,0,0|1,0,0]=3 3674 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 34a_200011215408_200025704644 [0,2,0,0,0,0|1,0,0]=3 3675 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 7a_200011215408_200025704644 [0,2,0,0,0,0|1,0,0]=3 3676 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200000210301_200009813700 [0,2,0,0,0,0|1,0,0]=3 3677 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200009813700_200000210301 [0,2,0,0,0,0|1,0,0]=3 3678 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200009813700_200025704644 [0,2,0,0,0,0|1,0,0]=3 3679 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813700 [0,2,0,0,0,0|1,0,0]=3 3680 B11R0.191 CCCCN(CC)C(=O)CCC 11a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 3681 B11R0.191 CCCCN(CC)C(=O)CCC 1626a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 3682 B11R0.191 CCCCN(CC)C(=O)CCC 240690a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 3683 B11R0.191 CCCCN(CC)C(=O)CCC 527a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 3684 B11R0.191 CCCCN(CC)C(=O)NCC 2708a_100015525214_100000207695 [0,2,0,0,0,0|2,0,0]=4 3685 B11R0.191 CCCCN(CC)C(=O)NCC 273464a_100015525214_100000207695 [0,2,0,0,0,0|2,0,0]=4 3686 B11R0.191 CCCOC(CC)C(=O)OCC 34a_100000210258_100000212269 [0,2,0,0,0,0|0,0,0]=2 3687 B11R0.191 CCCOC(CC)C(=O)OCC 34a_100011216719_100000210303 [0,2,0,0,0,0|0,0,0]=2 3688 B11R0.191 CCCOC(CC)C(=O)OCC 7a_100011216719_100000210303 [0,2,0,0,0,0|0,0,0]=2 3689 B11R0.191 CCCOC(SC)C(=O)OCC 34a_100000210258_100009893047 [0,2,0,0,0,0|1,0,0]=3 3690 B11R0.191 CCCSC(C=O)C(=O)OCC 62a_100000053139_100000210303 [0,2,0,0,0,0|1,0,1]=4 3691 B11R0.191 CCCSC(C=O)C(=O)OCC 62a_100000210303_100000053139 [0,2,0,0,0,0|1,0,1]=4 3692 B11R0.191 CCCSC(CC)C(=O)OCC 62a_100000210303_100000212269 [0,2,0,0,0,0|0,0,0]=2 3693 B11R0.191 CCCSC(CC)C(=O)OCC 62a_100000212269_100000210303 [0,2,0,0,0,0|0,0,0]=2 3694 B11R0.191 CCCSC(SC)C(=O)OCC 62a_100000210303_100009893047 [0,2,0,0,0,0|1,0,0]=3 3695 B11R0.191 CCCSC(SC)C(=O)OCC 62a_100009893047_100000210303 [0,2,0,0,0,0|1,0,0]=3 3696 B11R0.191 CCNC(=O)N(CC)CCC#N 2708a_100015525214_100000226048 [0,2,0,0,0,0|2,0,0]=4 3697 B11R0.191 CCNC(=O)N(CC)CCC#N 273464a_100015525214_100000226048 [0,2,0,0,0,0|2,0,0]=4 3698 B11R0.191 CCNC(=O)N(CC)CCOC 2708a_100015525214_100000731262 [0,2,0,0,0,0|2,0,0]=4 3699 B11R0.191 CCNC(=O)N(CC)CCOC 273464a_100015525214_100000731262 [0,2,0,0,0,0|2,0,0]=4 3700 B11R0.191 CCNN=C(CC)C(=O)OCC 4a_100000756455_100000211510 [0,2,0,0,0,0|0,0,1]=3 3701 B11R0.191 CCOC(=O)C(C=O)SCCF 62a_100000053139_100011217306 [0,2,0,0,0,0|1,0,1]=4 3702 B11R0.191 CCOC(=O)C(C=O)SCCF 62a_100011217306_100000053139 [0,2,0,0,0,0|1,0,1]=4 3703 B11R0.191 CCOC(=O)C(C=O)SCCO 62a_100000053139_100000211926 [0,2,0,0,0,0|1,0,1]=4 3704 B11R0.191 CCOC(=O)C(C=O)SCCO 62a_100000211926_100000053139 [0,2,0,0,0,0|1,0,1]=4 3705 B11R0.191 CCOC(=O)C(C=O)SCOC 62a_100000053139_100000766300 [0,2,0,0,0,0|1,0,1]=4 3706 B11R0.191 CCOC(=O)C(C=O)SCOC 62a_100000766300_100000053139 [0,2,0,0,0,0|1,0,1]=4 3707 B11R0.191 CCOC(=O)C(C=O)SCSC 62a_100000053139_100011218213 [0,2,0,0,0,0|1,0,1]=4 3708 B11R0.191 CCOC(=O)C(C=O)SCSC 62a_100011218213_100000053139 [0,2,0,0,0,0|1,0,1]=4 3709 B11R0.191 CCOC(=O)C(CC)NCCF 34a_100000724931_100000212269 [0,2,0,0,0,0|0,0,0]=2 3710 B11R0.191 CCOC(=O)C(CC)NCCO 2230a_100016997473_100000212269 [0,2,0,0,0,0|0,0,0]=2 3711 B11R0.191 CCOC(=O)C(CC)NCCO 34a_100016990907_100000212269 [0,2,0,0,0,0|0,0,0]=2 3712 B11R0.191 CCOC(=O)C(CC)OCC#N 7a_100011216719_100011215382 [0,2,0,0,0,0|0,0,1]=3 3713 B11R0.191 CCOC(=O)C(CC)OCC=O 34a_100011216719_200009817547 [0,2,0,0,0,0|0,0,1]=3 3714 B11R0.191 CCOC(=O)C(CC)OCC=O 7a_100011216719_200015260668 [0,2,0,0,0,0|0,0,1]=3 3715 B11R0.191 CCOC(=O)C(CC)OCCBr 34a_100000211926_100000212269 [0,2,0,0,0,0|0,0,0]=2 3716 B11R0.191 CCOC(=O)C(CC)OCCF 34a_100011216719_100011217306 [0,2,0,0,0,0|0,0,0]=2 3717 B11R0.191 CCOC(=O)C(CC)OCCF 7a_100011216719_100011217306 [0,2,0,0,0,0|0,0,0]=2 3718 B11R0.191 CCOC(=O)C(CC)OCCN 34a_100000210304_100000212269 [0,2,0,0,0,0|0,0,0]=2 3719 B11R0.191 CCOC(=O)C(CC)OCCO 34a_100011216719_100000211926 [0,2,0,0,0,0|0,0,0]=2 3720 B11R0.191 CCOC(=O)C(CC)OCCO 7a_100011216719_100000211926 [0,2,0,0,0,0|0,0,0]=2 3721 B11R0.191 CCOC(=O)C(CC)OCSC 34a_100011216719_100011218213 [0,2,0,0,0,0|0,0,0]=2 3722 B11R0.191 CCOC(=O)C(CC)SCC#N 62a_100000212269_100011215382 [0,2,0,0,0,0|0,0,1]=3 3723 B11R0.191 CCOC(=O)C(CC)SCC#N 62a_100011215382_100000212269 [0,2,0,0,0,0|0,0,1]=3 3724 B11R0.191 CCOC(=O)C(CC)SCC=O 62a_100000212269_200015260668 [0,2,0,0,0,0|0,0,1]=3 3725 B11R0.191 CCOC(=O)C(CC)SCC=O 62a_200015260668_100000212269 [0,2,0,0,0,0|0,0,1]=3 3726 B11R0.191 CCOC(=O)C(CC)SCCF 62a_100000212269_100011217306 [0,2,0,0,0,0|0,0,0]=2 3727 B11R0.191 CCOC(=O)C(CC)SCCF 62a_100011217306_100000212269 [0,2,0,0,0,0|0,0,0]=2 3728 B11R0.191 CCOC(=O)C(CC)SCCO 62a_100000211926_100000212269 [0,2,0,0,0,0|0,0,0]=2 3729 B11R0.191 CCOC(=O)C(CC)SCCO 62a_100000212269_100000211926 [0,2,0,0,0,0|0,0,0]=2 3730 B11R0.191 CCOC(=O)C(CC)SCOC 62a_100000212269_100000766300 [0,2,0,0,0,0|0,0,0]=2 3731 B11R0.191 CCOC(=O)C(CC)SCOC 62a_100000766300_100000212269 [0,2,0,0,0,0|0,0,0]=2 3732 B11R0.191 CCOC(=O)C(CC)SCSC 62a_100000212269_100011218213 [0,2,0,0,0,0|0,0,0]=2 3733 B11R0.191 CCOC(=O)C(CC)SCSC 62a_100011218213_100000212269 [0,2,0,0,0,0|0,0,0]=2 3734 B11R0.191 CCOC(=O)C(NCCF)SC 34a_100000724931_100009893047 [0,2,0,0,0,0|1,0,0]=3 3735 B11R0.191 CCOC(=O)C(NCCO)SC 34a_100016990907_100009893047 [0,2,0,0,0,0|1,0,0]=3 3736 B11R0.191 CCOC(=O)C(OCCBr)SC 34a_100000211926_100009893047 [0,2,0,0,0,0|1,0,0]=3 3737 B11R0.191 CCOC(=O)C(OCCN)SC 34a_100000210304_100009893047 [0,2,0,0,0,0|1,0,0]=3 3738 B11R0.191 CCOC(=O)C(SC)SCC#N 62a_100009893047_100011215382 [0,2,0,0,0,0|1,0,1]=4 3739 B11R0.191 CCOC(=O)C(SC)SCC#N 62a_100011215382_100009893047 [0,2,0,0,0,0|1,0,1]=4 3740 B11R0.191 CCOC(=O)C(SC)SCC=O 62a_100009893047_200015260668 [0,2,0,0,0,0|1,0,1]=4 3741 B11R0.191 CCOC(=O)C(SC)SCC=O 62a_200015260668_100009893047 [0,2,0,0,0,0|1,0,1]=4 3742 B11R0.191 CCOC(=O)C(SC)SCCF 62a_100009893047_100011217306 [0,2,0,0,0,0|1,0,0]=3 3743 B11R0.191 CCOC(=O)C(SC)SCCF 62a_100011217306_100009893047 [0,2,0,0,0,0|1,0,0]=3 3744 B11R0.191 CCOC(=O)C(SC)SCCO 62a_100000211926_100009893047 [0,2,0,0,0,0|1,0,0]=3 3745 B11R0.191 CCOC(=O)C(SC)SCCO 62a_100009893047_100000211926 [0,2,0,0,0,0|1,0,0]=3 3746 B11R0.191 CCOC(=O)C(SC)SCOC 62a_100000766300_100009893047 [0,2,0,0,0,0|1,0,0]=3 3747 B11R0.191 CCOC(=O)C(SC)SCOC 62a_100009893047_100000766300 [0,2,0,0,0,0|1,0,0]=3 3748 B11R0.191 CCOC(=O)C(SC)SCSC 62a_100009893047_100011218213 [0,2,0,0,0,0|1,0,0]=3 3749 B11R0.191 CCOC(=O)C(SC)SCSC 62a_100011218213_100009893047 [0,2,0,0,0,0|1,0,0]=3 3750 B11R0.241 CC#CC(=O)C(C)(CC)CCC 1458a_100000763181_200000040151 [0,2,0,0,0,0|1,0,1]=4 3751 B11R0.241 CC=CC(=O)C(C)(CC)CCC 1458a_100000210699_200000040151 [0,2,0,0,0,0|1,0,1]=4 3752 B11R0.241 CCCC(=O)C(C)(CC)CCC 1458a_100000211992_200000040151 [0,2,0,0,0,0|1,0,0]=3 3753 B11R0.241 CCCC(=O)C(C)(CC)CCC 1458a_200000724995_100000210303 [0,2,0,0,0,0|1,0,0]=3 3754 B11R0.241 CCCC(C)(CC)C(=O)CCF 1458a_200000724995_100011217306 [0,2,0,0,0,0|2,0,0]=4 3755 B11R0.241 CCCC(C)(CC)C(=O)CCO 1458a_100011216618_200000040151 [0,2,0,0,0,0|2,0,0]=4 3756 B11R0.241 CCCC(C)(CC)C(=O)CCO 1458a_200000724995_100000211926 [0,2,0,0,0,0|2,0,0]=4 3757 B11R0.241 CCCC(C)(CC)C(=O)COC 1458a_100000210968_200000040151 [0,2,0,0,0,0|2,0,0]=4 3758 B11R0.241 CCCC(C)(CC)C(=O)CSC 1458a_100000184570_200000040151 [0,2,0,0,0,0|2,0,0]=4 3759 B11R0.241 CCCC(C)(CC)C(=O)NCC 11a_100015525214_200000724995 [0,2,0,0,0,0|1,0,0]=3 3760 B11R0.241 CCCC(C)(CC)C(=O)NCC 240690a_100015525214_200000724995 [0,2,0,0,0,0|1,0,0]=3 3761 B11R0.241 CCCC(C)(CC)C(=O)NCC 527a_100015525214_200000724995 [0,2,0,0,0,0|1,0,0]=3 3762 B11R0.241 CCCC(C)(CC)C(=O)NNC 22a_100016993582_200000724995 [0,2,0,0,0,0|2,0,0]=4 3763 B11R0.23 CCC(CC)C(=O)C(CC)CC 1458a_100000211163_100000210505 [0,2,0,0,0,0|1,0,0]=3 3764 B11R0.23 CCC(CC)C(=O)C(CC)OC 1458a_100000747056_100000210505 [0,2,0,0,0,0|1,0,0]=3 3765 B11R0.23 CCC(CC)C(=O)C(OC)OC 1458a_100000046285_100000210505 [0,2,0,0,0,0|2,0,0]=4 3766 B11R0.23 CCC(CC)C(=O)N(CC)CC 11a_100000724800_100000211163 [0,2,0,0,0,0|1,0,0]=3 3767 B11R0.23 CCC(CC)C(=O)N(CC)CC 1626a_100000724800_100000211163 [0,2,0,0,0,0|1,0,0]=3 3768 B11R0.23 CCC(CC)C(=O)N(CC)CC 240690a_100000724800_100000211163 [0,2,0,0,0,0|1,0,0]=3 3769 B11R0.23 CCC(CC)C(=O)N(CC)CC 527a_100000724800_100000211163 [0,2,0,0,0,0|1,0,0]=3 3770 B11R0.23 CCC(NC)C(=O)N(CC)CC 2230a_106832991635_200011763339 [0,2,0,0,0,0|2,0,0]=4 3771 B11R0.23 CCC(NC)C(=O)N(CC)CC 7a_106832991635_200011763339 [0,2,0,0,0,0|2,0,0]=4 3772 B11R0.23 CCC(OC)C(=O)N(CC)CC 11a_100000724800_100000747056 [0,2,0,0,0,0|2,0,0]=4 3773 B11R0.23 CCC(OC)C(=O)N(CC)CC 1626a_100000724800_100000747056 [0,2,0,0,0,0|2,0,0]=4 3774 B11R0.23 CCC(OC)C(=O)N(CC)CC 240690a_100000724800_100000747056 [0,2,0,0,0,0|2,0,0]=4 3775 B11R0.23 CCC(OC)C(=O)N(CC)CC 527a_100000724800_100000747056 [0,2,0,0,0,0|2,0,0]=4 3776 B11R0.23 CCC(SC)C(=O)N(CC)CC 62a_200000210301_200011763339 [0,2,0,0,0,0|2,0,0]=4 3777 B11R0.23 CCC(SC)C(=O)N(CC)CC 62a_200011763339_200000210301 [0,2,0,0,0,0|2,0,0]=4 3778 B11R0.23 CCC(S[13CH3])C(=O)N(CC)CC 62a_200011763339_200025704644 [0,2,0,0,0,0|2,0,0]=4 3779 B11R0.23 CCC(S[13CH3])C(=O)N(CC)CC 62a_200025704644_200011763339 [0,2,0,0,0,0|2,0,0]=4 3780 B11R0.258 C/C=C(\C)/C(=O)C(C)(CC)CC 1458a_100020587367_100009817345 [0,2,0,0,0,0|1,0,1]=4 3781 B11R0.258 CCC(C)(CC)C(=O)C(=O)NC 1458a_100011218921_100009817345 [0,2,0,0,0,0|2,0,0]=4 3782 B11R0.258 CCC(C)(CC)C(=O)C(C)OC 1458a_100000743197_100009817345 [0,2,0,0,0,0|2,0,0]=4 3783 B11R0.258 CCC(C)(CC)C(=O)C(C)SC 1458a_100000149566_100009817345 [0,2,0,0,0,0|2,0,0]=4 3784 B11R0.258 CCC(C)(CC)C(=O)C(O)CO 1458a_100011215603_100009817345 [0,2,0,0,0,0|2,0,0]=4 3785 B11R0.258 CCC(C)C(=O)C(C)(CC)CC 1458a_100000760562_100000758301 [0,2,0,0,0,0|1,0,0]=3 3786 B11R0.258 CCC(C)C(=O)C(C)(CC)CC 1458a_100011192722_100009817345 [0,2,0,0,0,0|1,0,0]=3 3787 B11R0.258 CCC(O)C(=O)C(C)(CC)CC 1458a_100011196387_100009817345 [0,2,0,0,0,0|1,0,0]=3 3788 B11R0.258 CCN(C)C(=O)C(C)(CC)CC 11a_100000225621_100000760562 [0,2,0,0,0,0|1,0,0]=3 3789 B11R0.258 CCN(C)C(=O)C(C)(CC)CC 1626a_100000225621_100000760562 [0,2,0,0,0,0|1,0,0]=3 3790 B11R0.258 CCN(C)C(=O)C(C)(CC)CC 240690a_100000225621_100000760562 [0,2,0,0,0,0|1,0,0]=3 3791 B11R0.258 CCN(C)C(=O)C(C)(CC)CC 527a_100000225621_100000760562 [0,2,0,0,0,0|1,0,0]=3 3792 B11R0.278 CCC(C(=O)N(C)CC)N(C)C 240690a_100000225621_100000689100 [0,2,0,0,0,0|2,0,0]=4 3793 B11R0.278 CCC(C(=O)N(C)CC)N(C)C 527a_100000225621_100000689100 [0,2,0,0,0,0|2,0,0]=4 3794 B11R0.278 CCC(C)C(=O)C(CC)N(C)C 1458a_100000689100_100000758301 [0,2,0,0,0,0|2,0,0]=4 3795 B11R0.278 CCC(C)C(=O)N(CC)C(C)C 11a_100000223864_100011192722 [0,2,0,0,0,0|2,0,0]=4 3796 B11R0.278 CCC(C)C(=O)N(CC)C(C)C 1626a_100000223864_100011192722 [0,2,0,0,0,0|2,0,0]=4 3797 B11R0.278 CCC(C)C(=O)N(CC)C(C)C 240690a_100000223864_100011192722 [0,2,0,0,0,0|2,0,0]=4 3798 B11R0.278 CCC(C)C(=O)N(CC)C(C)C 527a_100000223864_100011192722 [0,2,0,0,0,0|2,0,0]=4 3799 B11R0.278 CCC(O)C(=O)N(CC)C(C)C 240690a_100000223864_100011196387 [0,2,0,0,0,0|2,0,0]=4 3800 B11R0.294 CCC(CC)C(=O)C(=O)N(C)C 1458a_100011218876_100000210505 [0,2,0,0,0,0|2,0,0]=4 3801 B11R0.294 CCC(CC)C(=O)C(C)C(=O)C 1458a_100000211163_100000179758 [0,2,0,0,0,0|1,0,1]=4 3802 B11R0.294 CCC(CC)C(=O)C(C)C(C)C 1458a_100000755409_100000210505 [0,2,0,0,0,0|1,0,0]=3 3803 B11R0.294 CCC(CC)C(=O)N(C)C(C)C 11a_200000211004_100000211163 [0,2,0,0,0,0|1,0,0]=3 3804 B11R0.294 CCC(CC)C(=O)N(C)C(C)C 1626a_200000211004_100000211163 [0,2,0,0,0,0|1,0,0]=3 3805 B11R0.294 CCC(CC)C(=O)N(C)C(C)C 240690a_200000211004_100000211163 [0,2,0,0,0,0|1,0,0]=3 3806 B11R0.294 CCC(CC)C(=O)N(C)C(C)C 527a_200000211004_100000211163 [0,2,0,0,0,0|1,0,0]=3 3807 B11R0.294 CCC(CC)C(=O)[C@H](C)N(C)C 1458a_100009822176_100000210505 [0,2,0,0,0,0|2,0,0]=4 3808 B11R0.294 CCC(CC)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000210505 [0,2,0,0,0,0|1,0,0]=3 3809 B11R0.294 CCC(OC)C(=O)N(C)C(C)C 11a_200000211004_100000747056 [0,2,0,0,0,0|2,0,0]=4 3810 B11R0.294 CCC(OC)C(=O)N(C)C(C)C 1626a_200000211004_100000747056 [0,2,0,0,0,0|2,0,0]=4 3811 B11R0.294 CCC(OC)C(=O)N(C)C(C)C 240690a_200000211004_100000747056 [0,2,0,0,0,0|2,0,0]=4 3812 B11R0.294 CCC(OC)C(=O)N(C)C(C)C 527a_200000211004_100000747056 [0,2,0,0,0,0|2,0,0]=4 3813 B11R0.294 CCN(CC)C(=O)C(=O)C(C)C 1458a_200000187824_100000210206 [0,2,0,0,0,0|2,0,0]=4 3814 B11R0.294 CCN(CC)C(=O)C(C)C(C)C 11a_100000724800_100000755409 [0,2,0,0,0,0|2,0,0]=4 3815 B11R0.294 CCN(CC)C(=O)C(C)C(C)C 1626a_100000724800_100000755409 [0,2,0,0,0,0|2,0,0]=4 3816 B11R0.294 CCN(CC)C(=O)C(C)C(C)C 240690a_100000724800_100000755409 [0,2,0,0,0,0|2,0,0]=4 3817 B11R0.294 CCN(CC)C(=O)C(C)C(C)C 527a_100000724800_100000755409 [0,2,0,0,0,0|2,0,0]=4 3818 B11R0.294 CCN(CC)C(=O)[C@H](O)C(C)C 240690a_100000724800_100000691806 [0,2,0,0,0,0|2,0,0]=4 3819 B11R0.312 CCC(CC)C(=O)C(C)(C)CC 1458a_100000749717_100000210505 [0,2,0,0,0,0|1,0,0]=3 3820 B11R0.312 CCC(CC)C(=O)C(C)(C)CF 1458a_100000138116_100000210505 [0,2,0,0,0,0|2,0,0]=4 3821 B11R0.312 CCC(CC)C(=O)C(C)(C)CO 1458a_100000749806_100000210505 [0,2,0,0,0,0|2,0,0]=4 3822 B11R0.312 CCC(CC)C(=O)C(C)(C)OC 1458a_100000753492_100000210505 [0,2,0,0,0,0|2,0,0]=4 3823 B11R0.312 CCC(CC)C(=O)C(C)(O)CC 1458a_100011219770_100000210505 [0,2,0,0,0,0|1,0,0]=3 3824 B11R0.312 CCC(CC)C(=O)C(F)(F)CC 1458a_100000061896_100000210505 [0,2,0,0,0,0|1,0,0]=3 3825 B11R0.312 CCN(CC)C(=O)C(C)(C)CC 11a_100000724800_100000749717 [0,2,0,0,0,0|2,0,0]=4 3826 B11R0.312 CCN(CC)C(=O)C(C)(C)CC 1626a_100000724800_100000749717 [0,2,0,0,0,0|2,0,0]=4 3827 B11R0.312 CCN(CC)C(=O)C(C)(C)CC 240690a_100000724800_100000749717 [0,2,0,0,0,0|2,0,0]=4 3828 B11R0.312 CCN(CC)C(=O)C(C)(C)CC 527a_100000724800_100000749717 [0,2,0,0,0,0|2,0,0]=4 3829 B11R0.312 CCN(CC)C(=O)C(C)(O)CC 240690a_100000724800_100011219770 [0,2,0,0,0,0|2,0,0]=4 3830 B11R0.312 CCN(CC)C(=O)C(F)(F)CC 11a_100000724800_100000061896 [0,2,0,0,0,0|2,0,0]=4 3831 B11R0.312 CCN(CC)C(=O)C(F)(F)CC 1626a_100000724800_100000061896 [0,2,0,0,0,0|2,0,0]=4 3832 B11R0.312 CCN(CC)C(=O)C(F)(F)CC 240690a_100000724800_100000061896 [0,2,0,0,0,0|2,0,0]=4 3833 B11R0.312 CCN(CC)C(=O)C(F)(F)CC 527a_100000724800_100000061896 [0,2,0,0,0,0|2,0,0]=4 3834 B11R0.7 CCCC(=O)N(CC)C(C)(C)C 11a_100011200764_100000211992 [0,2,0,0,0,0|2,0,0]=4 3835 B11R0.7 CCCC(=O)N(CC)C(C)(C)C 1626a_100011200764_100000211992 [0,2,0,0,0,0|2,0,0]=4 3836 B11R0.7 CCCC(=O)N(CC)C(C)(C)C 240690a_100011200764_100000211992 [0,2,0,0,0,0|2,0,0]=4 3837 B11R0.7 CCNC(=O)N(CC)C(C)(C)C 273464a_100015525214_100011200764 [0,2,0,0,0,0|2,0,0]=4 3838 B11R0.7 CCOC(=O)C(NC)C(F)(F)F 34a_100102657272_200010009677 [0,2,0,0,0,0|2,0,0]=4 3839 B11R0.7 CCOC(=O)C(OC)C(F)(F)F 34a_100138415774_200010009677 [0,2,0,0,0,0|2,0,0]=4 3840 B11R0.7 CCOC(=O)C(SC)C(F)(F)F 62a_200000210301_200010009677 [0,2,0,0,0,0|2,0,0]=4 3841 B11R0.7 CCOC(=O)C(SC)C(F)(F)F 62a_200010009677_200000210301 [0,2,0,0,0,0|2,0,0]=4 3842 B11R0.7 CCOC(=O)C(S[13CH3])C(F)(F)F 62a_200010009677_200025704644 [0,2,0,0,0,0|2,0,0]=4 3843 B11R0.7 CCOC(=O)C(S[13CH3])C(F)(F)F 62a_200025704644_200010009677 [0,2,0,0,0,0|2,0,0]=4 3844 B11R0.175 CCCC(=O)N(C(C)C)C(C)C 11a_100000086832_100000211992 [0,2,0,0,0,0|2,0,0]=4 3845 B11R0.175 CCCC(=O)N(C(C)C)C(C)C 1626a_100000086832_100000211992 [0,2,0,0,0,0|2,0,0]=4 3846 B11R0.175 CCCC(=O)[C@H](C(C)C)N(C)C 1458a_100000687188_100000210303 [0,2,0,0,0,0|2,0,0]=4 3847 B11R0.175 CCNC(=O)[C@H](C(C)C)N(C)C 240690a_100015525214_100000687188 [0,2,0,0,0,0|2,0,0]=4 3848 B11R0.175 CCNC(=O)[C@H](C(C)C)N(C)C 527a_100015525214_100000687188 [0,2,0,0,0,0|2,0,0]=4 3849 B11R0.175 CCOC(=O)C(C(=O)C)C(C)C 1458a_100000070787_100000740032 [0,2,0,0,0,0|0,0,1]=3 3850 B11R0.175 CCOC(=O)C(C(=O)C)N(C)C 269982a_100102631434_100009831564 [0,2,0,0,0,0|1,0,1]=4 3851 B11R0.175 CCOC(=O)C(C(C)C)N(C)C 269982a_100102631434_100000740032 [0,2,0,0,0,0|1,0,0]=3 3852 B11R0.282 CCC(C(=O)C)C(=O)NC(C)C 1458a_100000070787_200011763342 [0,2,0,0,0,0|1,0,1]=4 3853 B11R0.282 CCC(C(=O)CC(C)C)N(C)C 1458a_100000689100_100000210624 [0,2,0,0,0,0|2,0,0]=4 3854 B11R0.282 CCC(C(=O)CC(C)O)N(C)C 1458a_100000689100_100011218427 [0,2,0,0,0,0|2,0,0]=4 3855 B11R0.282 CCC(C(=O)NC(C)C)N(C)C 2230a_100102631434_200011763342 [0,2,0,0,0,0|2,0,0]=4 3856 B11R0.282 CCC(C(=O)NC(C)C)N(C)C 240690a_100138425928_100000689100 [0,2,0,0,0,0|2,0,0]=4 3857 B11R0.282 CCC(C(=O)NC(C)C)N(C)C 269982a_100102631434_200011763342 [0,2,0,0,0,0|2,0,0]=4 3858 B11R0.282 CCC(C(=O)NC(C)C)N(C)C 527a_100138425928_100000689100 [0,2,0,0,0,0|2,0,0]=4 3859 B11R0.282 CCN(C(=O)CC(C)C)C(C)C 11a_100000223864_100000210554 [0,2,0,0,0,0|2,0,0]=4 3860 B11R0.282 CCN(C(=O)CC(C)C)C(C)C 1626a_100000223864_100000210554 [0,2,0,0,0,0|2,0,0]=4 3861 B11R0.282 CCN(C(=O)CC(C)C)C(C)C 240690a_100000223864_100000210554 [0,2,0,0,0,0|2,0,0]=4 3862 B11R0.282 CCN(C(=O)CC(C)C)C(C)C 527a_100000223864_100000210554 [0,2,0,0,0,0|2,0,0]=4 3863 B11R0.282 CCN(C(=O)C[C@@H](C)O)C(C)C 240690a_100000223864_100011933948 [0,2,0,0,0,0|2,0,0]=4 3864 B11R0.282 CCN(C(=O)NC(C)C)C(C)C 2708a_100138425928_100000223864 [0,2,0,0,0,0|2,0,0]=4 3865 B11R0.282 CCN(C(=O)NC(C)C)C(C)C 273464a_100138425928_100000223864 [0,2,0,0,0,0|2,0,0]=4 3866 B11R0.252 CC#CC(=O)C(CC)(CC)CC 1458a_100000763181_200010884430 [0,2,0,0,0,0|1,0,1]=4 3867 B11R0.252 CC=CC(=O)C(CC)(CC)CC 1458a_100000210699_200010884430 [0,2,0,0,0,0|1,0,1]=4 3868 B11R0.252 CCC(C#N)(CC)C(=O)CCF 1458a_100011499467_100011217306 [0,2,0,0,0,0|2,0,0]=4 3869 B11R0.252 CCC(C#N)(CC)C(=O)CCO 1458a_100011499467_100000211926 [0,2,0,0,0,0|2,0,0]=4 3870 B11R0.252 CCC(C#N)(CC)C(=O)NNC 22a_100016993582_100011499467 [0,2,0,0,0,0|2,0,0]=4 3871 B11R0.252 CCC(CC)(CC)C(=O)CCO 1458a_100011216618_200010884430 [0,2,0,0,0,0|2,0,0]=4 3872 B11R0.252 CCC(CC)(CC)C(=O)COC 1458a_100000210968_200010884430 [0,2,0,0,0,0|2,0,0]=4 3873 B11R0.252 CCC(CC)(CC)C(=O)CSC 1458a_100000184570_200010884430 [0,2,0,0,0,0|2,0,0]=4 3874 B11R0.252 CCCC(=O)C(C#N)(CC)CC 1458a_100011499467_100000210303 [0,2,0,0,0,0|1,0,0]=3 3875 B11R0.252 CCCC(=O)C(CC)(CC)CC 1458a_100000211992_200010884430 [0,2,0,0,0,0|1,0,0]=3 3876 B11R0.252 CCCC(=O)C(CC)(CO)CO 1458a_100000039496_100000210303 [0,2,0,0,0,0|2,0,0]=4 3877 B11R0.252 CCNC(=O)C(C#N)(CC)CC 11a_100015525214_100011499467 [0,2,0,0,0,0|1,0,0]=3 3878 B11R0.252 CCNC(=O)C(C#N)(CC)CC 240690a_100015525214_100011499467 [0,2,0,0,0,0|1,0,0]=3 3879 B11R0.252 CCNC(=O)C(C#N)(CC)CC 527a_100015525214_100011499467 [0,2,0,0,0,0|1,0,0]=3 3880 B11R0.252 CCNC(=O)C(CC)(CO)CO 240690a_100015525214_100000039496 [0,2,0,0,0,0|2,0,0]=4 3881 B11R0.252 CCOC(=O)C(CC)(CC)NC 2230a_106832991635_200009990444 [0,2,0,0,0,0|0,0,0]=2 3882 B11R0.252 CCOC(=O)C(CC)(CC)NC 34a_100102657272_200009990444 [0,2,0,0,0,0|0,0,0]=2 3883 B11R0.252 CCOC(=O)C(CC)(CC)NC 7a_106832991635_200009990444 [0,2,0,0,0,0|0,0,0]=2 3884 B11R0.252 CCOC(=O)C(CC)(CC)OC 34a_100138415774_200009990444 [0,2,0,0,0,0|0,0,0]=2 3885 B11R0.252 CCOC(=O)C(CC)(CC)SC 62a_200000210301_200009990444 [0,2,0,0,0,0|0,0,0]=2 3886 B11R0.252 CCOC(=O)C(CC)(CC)SC 62a_200009990444_200000210301 [0,2,0,0,0,0|0,0,0]=2 3887 B11R0.252 CCOC(=O)C(CC)(CC)S[13CH3] 62a_200009990444_200025704644 [0,2,0,0,0,0|0,0,0]=2 3888 B11R0.252 CCOC(=O)C(CC)(CC)S[13CH3] 62a_200025704644_200009990444 [0,2,0,0,0,0|0,0,0]=2 3889 B11R0.366 C=C(C)CC(=O)C(C)(CC)CC 1458a_100000760562_100000748629 [0,2,0,0,0,0|1,0,1]=4 3890 B11R0.366 CCC(C)(CC)C(=O)C=C(C)C 1458a_100000211388_100009817345 [0,2,0,0,0,0|1,0,1]=4 3891 B11R0.366 CCC(C)(CC)C(=O)C=C(C)Cl 1458a_200042562850_100009817345 [0,2,0,0,0,0|1,0,1]=4 3892 B11R0.366 CCC(C)(CC)C(=O)C=C(C)I 1458a_100025716642_100009817345 [0,2,0,0,0,0|1,0,1]=4 3893 B11R0.366 CCC(C)(CC)C(=O)CC(C)C 1458a_100000210554_100009817345 [0,2,0,0,0,0|1,0,0]=3 3894 B11R0.366 CCC(C)(CC)C(=O)CC(C)C 1458a_100000760562_100000210624 [0,2,0,0,0,0|1,0,0]=3 3895 B11R0.366 CCC(C)(CC)C(=O)CC(C)O 1458a_100000760562_100011218427 [0,2,0,0,0,0|1,0,0]=3 3896 B11R0.366 CCC(C)(CC)C(=O)CC(F)F 1458a_100000760562_100011934356 [0,2,0,0,0,0|2,0,0]=4 3897 B11R0.366 CCC(C)(CC)C(=O)CN(C)C 1458a_100000750896_100009817345 [0,2,0,0,0,0|2,0,0]=4 3898 B11R0.366 CCC(C)(CC)C(=O)C[C@@H](C)O 1458a_100011933948_100009817345 [0,2,0,0,0,0|1,0,0]=3 3899 B11R0.366 CCC(C)(CC)C(=O)C[S+](C)C 1458a_200159257847_100009817345 [0,2,0,0,0,0|2,0,0]=4 3900 B11R0.366 CCC(C)(CC)C(=O)NC(C)C 11a_100138425928_100000760562 [0,2,0,0,0,0|1,0,0]=3 3901 B11R0.366 CCC(C)(CC)C(=O)NC(C)C 1626a_100138425928_100000760562 [0,2,0,0,0,0|1,0,0]=3 3902 B11R0.366 CCC(C)(CC)C(=O)NC(C)C 240690a_100138425928_100000760562 [0,2,0,0,0,0|1,0,0]=3 3903 B11R0.366 CCC(C)(CC)C(=O)NC(C)C 527a_100138425928_100000760562 [0,2,0,0,0,0|1,0,0]=3 3904 B11R0.172 CCC(CC)C(=O)CC(C)(C)C 1458a_100000211214_100000210505 [0,2,0,0,0,0|1,0,0]=3 3905 B11R0.172 CCC(CC)C(=O)CC(C)(C)O 1458a_100000693243_100000210505 [0,2,0,0,0,0|1,0,0]=3 3906 B11R0.172 CCC(CC)C(=O)CC(F)(F)F 1458a_100000245130_100000210505 [0,2,0,0,0,0|2,0,0]=4 3907 B11R0.172 CCC(CC)C(=O)CS(=O)(=O)C 1458a_100000744497_100000210505 [0,2,0,0,0,0|2,0,0]=4 3908 B11R0.172 CCC(CC)C(=O)C[N+](C)(C)C 1458a_100000033712_100000210505 [0,2,0,0,0,0|2,0,0]=4 3909 B11R0.172 CCC(CC)C(=O)C[Si](C)(C)C 1458a_100000211163_100000233785 [0,2,0,0,0,0|1,1,0]=4 3910 B11R0.172 CCC(CC)C(=O)C[Si](C)(C)C 1458a_100011218504_100000210505 [0,2,0,0,0,0|1,1,0]=4 3911 B11R0.172 CCC(CC)C(=O)NC(C)(C)C 11a_100000715429_100000211163 [0,2,0,0,0,0|1,0,0]=3 3912 B11R0.172 CCC(CC)C(=O)NC(C)(C)C 1626a_100000715429_100000211163 [0,2,0,0,0,0|1,0,0]=3 3913 B11R0.172 CCC(CC)C(=O)NC(C)(C)C 240690a_100000715429_100000211163 [0,2,0,0,0,0|1,0,0]=3 3914 B11R0.172 CCC(CC)C(=O)NC(C)(C)C 527a_100000715429_100000211163 [0,2,0,0,0,0|1,0,0]=3 3915 B11R0.172 CCC(CC)C(=O)NS(=O)(=O)C 2740a_100000171171_100000211163 [0,2,0,0,0,0|2,0,0]=4 3916 B11R0.172 CCC(NC)C(=O)NC(C)(C)C 2230a_106832991635_200011763340 [0,2,0,0,0,0|2,0,0]=4 3917 B11R0.172 CCC(NC)C(=O)NC(C)(C)C 7a_106832991635_200011763340 [0,2,0,0,0,0|2,0,0]=4 3918 B11R0.172 CCC(NC)C(=O)OC(C)(C)C 2230a_106832991635_100000718401 [0,2,0,0,0,0|1,0,0]=3 3919 B11R0.172 CCC(NC)C(=O)OC(C)(C)C 34a_100102657272_100000718401 [0,2,0,0,0,0|1,0,0]=3 3920 B11R0.172 CCC(NC)C(=O)OC(C)(C)C 7a_106832991635_100000718401 [0,2,0,0,0,0|1,0,0]=3 3921 B11R0.172 CCC(OC)C(=O)NC(C)(C)C 11a_100000715429_100000747056 [0,2,0,0,0,0|2,0,0]=4 3922 B11R0.172 CCC(OC)C(=O)NC(C)(C)C 1626a_100000715429_100000747056 [0,2,0,0,0,0|2,0,0]=4 3923 B11R0.172 CCC(OC)C(=O)NC(C)(C)C 240690a_100000715429_100000747056 [0,2,0,0,0,0|2,0,0]=4 3924 B11R0.172 CCC(OC)C(=O)NC(C)(C)C 527a_100000715429_100000747056 [0,2,0,0,0,0|2,0,0]=4 3925 B11R0.172 CCC(OC)C(=O)OC(C)(C)C 34a_100138415774_100000718401 [0,2,0,0,0,0|1,0,0]=3 3926 B11R0.172 CCC(SC)C(=O)NC(C)(C)C 62a_200000210301_200011763340 [0,2,0,0,0,0|2,0,0]=4 3927 B11R0.172 CCC(SC)C(=O)NC(C)(C)C 62a_200011763340_200000210301 [0,2,0,0,0,0|2,0,0]=4 3928 B11R0.172 CCC(SC)C(=O)OC(C)(C)C 62a_100000718401_200000210301 [0,2,0,0,0,0|1,0,0]=3 3929 B11R0.172 CCC(SC)C(=O)OC(C)(C)C 62a_200000210301_100000718401 [0,2,0,0,0,0|1,0,0]=3 3930 B11R0.172 CCC(S[13CH3])C(=O)NC(C)(C)C 62a_200011763340_200025704644 [0,2,0,0,0,0|2,0,0]=4 3931 B11R0.172 CCC(S[13CH3])C(=O)NC(C)(C)C 62a_200025704644_200011763340 [0,2,0,0,0,0|2,0,0]=4 3932 B11R0.172 CCC(S[13CH3])C(=O)OC(C)(C)C 62a_100000718401_200025704644 [0,2,0,0,0,0|1,0,0]=3 3933 B11R0.172 CCC(S[13CH3])C(=O)OC(C)(C)C 62a_200025704644_100000718401 [0,2,0,0,0,0|1,0,0]=3 3934 B11R0.172 CCN(CC)C(=O)CC(C)(C)C 11a_100000724800_100000211214 [0,2,0,0,0,0|2,0,0]=4 3935 B11R0.172 CCN(CC)C(=O)CC(C)(C)C 1626a_100000724800_100000211214 [0,2,0,0,0,0|2,0,0]=4 3936 B11R0.172 CCN(CC)C(=O)CC(C)(C)C 240690a_100000724800_100000211214 [0,2,0,0,0,0|2,0,0]=4 3937 B11R0.172 CCN(CC)C(=O)CC(C)(C)C 527a_100000724800_100000211214 [0,2,0,0,0,0|2,0,0]=4 3938 B11R0.172 CCN(CC)C(=O)CC(C)(C)O 527a_100000724800_100000693243 [0,2,0,0,0,0|2,0,0]=4 3939 B11R0.172 CCN(CC)C(=O)NC(C)(C)C 273464a_100000715429_100000724800 [0,2,0,0,0,0|2,0,0]=4 3940 B11R0.172 CC[C@@H](OC)C(=O)OC(C)(C)C 34a_100016236016_200000210301 [0,2,0,0,0,0|1,0,0]=3 3941 B11R0.172 CC[C@@H](OC)C(=O)OC(C)(C)C 7a_100016236016_200000210301 [0,2,0,0,0,0|1,0,0]=3 3942 B11R0.172 CC[C@@H](O[13CH3])C(=O)OC(C)(C)C 34a_100016236016_200025704644 [0,2,0,0,0,0|1,0,0]=3 3943 B11R0.172 CC[C@@H](O[13CH3])C(=O)OC(C)(C)C 7a_100016236016_200025704644 [0,2,0,0,0,0|1,0,0]=3 3944 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 3945 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 3946 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 3947 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 3948 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 3949 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 3950 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,0,0,1,0,0|2,0,0]=4 3951 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,0,0,1,0,0|2,0,0]=4 3952 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [1,0,0,1,0,0|2,0,0]=4 3953 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [1,0,0,1,0,0|2,0,0]=4 3954 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [1,0,0,1,0,0|2,0,0]=4 3955 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [1,0,0,1,0,0|2,0,0]=4 3956 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [1,0,0,1,0,0|2,0,0]=4 3957 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,0,0,1,0,0|2,0,0]=4 3958 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,0,0,1,0,0|2,0,0]=4 3959 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [1,0,0,1,0,0|2,0,0]=4 3960 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [1,0,0,1,0,0|2,0,0]=4 3961 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [1,0,0,1,0,0|2,0,0]=4 3962 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [1,0,0,1,0,0|2,0,0]=4 3963 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [1,0,0,1,0,0|2,0,0]=4 3964 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [1,0,0,1,0,0|2,0,0]=4 3965 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [1,0,0,1,0,0|2,0,0]=4 3966 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [1,0,0,1,0,0|2,0,0]=4 3967 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,0,0,1,0,0|2,0,0]=4 3968 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [1,0,0,1,0,0|2,0,0]=4 3969 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [1,0,0,1,0,0|2,0,0]=4 3970 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [1,0,0,1,0,0|2,0,0]=4 3971 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [1,0,0,1,0,0|2,0,0]=4 3972 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [1,0,0,1,0,0|2,0,0]=4 3973 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [1,0,0,1,0,0|1,0,0]=3 3974 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [1,0,0,1,0,0|1,0,0]=3 3975 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [1,0,0,1,0,0|1,0,0]=3 3976 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [1,0,0,1,0,0|1,0,0]=3 3977 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [1,0,0,1,0,0|1,0,0]=3 3978 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [1,0,0,1,0,0|1,0,0]=3 3979 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [1,0,0,1,0,0|1,0,0]=3 3980 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [1,0,0,1,0,0|1,0,0]=3 3981 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [1,0,0,1,0,0|1,0,1]=4 3982 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [1,0,0,1,0,0|1,0,1]=4 3983 B9R1.73 CC#CC(=O)C1CCC1 1458a_100000763181_100000749161 [1,0,0,1,0,0|1,0,1]=4 3984 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [1,0,0,1,0,0|1,0,1]=4 3985 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [1,0,0,1,0,0|1,0,0]=3 3986 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [1,0,0,1,0,0|1,0,0]=3 3987 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [1,0,0,1,0,0|2,0,0]=4 3988 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [1,0,0,1,0,0|2,0,0]=4 3989 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [1,0,0,1,0,0|2,0,0]=4 3990 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 3991 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 3992 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 3993 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 3994 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 3995 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 3996 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 3997 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 3998 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 3999 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 4000 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 4001 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 4002 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [1,0,0,1,0,0|2,0,0]=4 4003 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [1,0,0,1,0,0|2,0,0]=4 4004 B9R1.73 CCOC(C)C1CCC1 34a_100000766398_100000210202 [1,0,0,1,0,0|1,0,1]=4 4005 B9R1.73 CCOC(C)C1CCC1 7a_100000766398_100000210202 [1,0,0,1,0,0|1,0,1]=4 4006 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [1,0,0,1,0,0|2,0,0]=4 4007 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [1,0,0,1,0,0|2,0,0]=4 4008 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [1,0,0,1,0,0|2,0,0]=4 4009 B9R1.73 CNNC(=O)C1CCC1 22a_100016993582_100000209988 [1,0,0,1,0,0|2,0,0]=4 4010 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [1,0,0,1,0,0|2,0,0]=4 4011 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [1,0,0,1,0,0|2,0,0]=4 4012 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [1,0,0,1,0,0|2,0,0]=4 4013 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [1,0,0,1,0,0|2,0,0]=4 4014 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [1,0,0,1,0,0|2,0,0]=4 4015 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [1,0,0,1,0,0|2,0,0]=4 4016 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [1,0,0,1,0,0|2,0,0]=4 4017 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [1,0,0,1,0,0|2,0,0]=4 4018 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [1,0,0,1,0,0|2,0,0]=4 4019 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [1,0,0,1,0,0|2,0,0]=4 4020 B9R1.74 CC1(CC1)C(=O)CCF 1458a_100000756474_100011217306 [1,0,0,1,0,0|2,0,0]=4 4021 B9R1.74 CC1(CC1)C(=O)CCO 1458a_100000756474_100000211926 [1,0,0,1,0,0|2,0,0]=4 4022 B9R1.74 CCCC(=O)C1(CC1)C 1458a_100000756474_100000210303 [1,0,0,1,0,0|1,0,0]=3 4023 B9R1.74 CCCC(=O)C1(CC1)F 1458a_100000055089_100000210303 [1,0,0,1,0,0|2,0,0]=4 4024 B9R1.74 CCCC(=O)C1(CC1)O 1458a_100000241761_100000210303 [1,0,0,1,0,0|2,0,0]=4 4025 B9R1.74 CCNC(=O)C1(CC1)C 11a_100015525214_100000756474 [1,0,0,1,0,0|1,0,0]=3 4026 B9R1.74 CCNC(=O)C1(CC1)C 240690a_100015525214_100000756474 [1,0,0,1,0,0|1,0,0]=3 4027 B9R1.74 CCNC(=O)C1(CC1)C 527a_100015525214_100000756474 [1,0,0,1,0,0|1,0,0]=3 4028 B9R1.74 CCNC(=O)C1(CC1)F 11a_100015525214_100000055089 [1,0,0,1,0,0|2,0,0]=4 4029 B9R1.74 CCNC(=O)C1(CC1)F 240690a_100015525214_100000055089 [1,0,0,1,0,0|2,0,0]=4 4030 B9R1.74 CCNC(=O)C1(CC1)F 527a_100015525214_100000055089 [1,0,0,1,0,0|2,0,0]=4 4031 B9R1.74 CCNC(=O)C1(CC1)O 240690a_100015525214_100000241761 [1,0,0,1,0,0|2,0,0]=4 4032 B9R1.74 CNNC(=O)C1(CC1)C 22a_100016993582_100000756474 [1,0,0,1,0,0|2,0,0]=4 4033 B9R1.101 CCC(C)C(=O)C1CC1 1458a_100000210395_100000758301 [1,0,0,1,0,0|1,0,0]=3 4034 B9R1.101 CCC(C)C(=O)C1CO1 1458a_100000701028_100000758301 [1,0,0,1,0,0|2,0,0]=4 4035 B9R1.101 CCN(C)C(=O)C1CC1 11a_100000225621_100000210395 [1,0,0,1,0,0|2,0,0]=4 4036 B9R1.101 CCN(C)C(=O)C1CC1 1626a_100000225621_100000210395 [1,0,0,1,0,0|2,0,0]=4 4037 B9R1.101 CCN(C)C(=O)C1CC1 240690a_100000225621_100000210395 [1,0,0,1,0,0|2,0,0]=4 4038 B9R1.101 CCN(C)C(=O)C1CC1 527a_100000225621_100000210395 [1,0,0,1,0,0|2,0,0]=4 4039 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [1,0,0,1,0,0|2,0,0]=4 4040 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [1,0,0,1,0,0|2,0,0]=4 4041 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [1,0,0,1,0,0|1,0,0]=3 4042 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [1,0,0,1,0,0|2,0,0]=4 4043 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [1,0,0,1,0,0|1,0,0]=3 4044 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [1,0,0,1,0,0|1,0,0]=3 4045 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 4046 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 4047 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 4048 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [1,0,0,1,0,0|2,0,0]=4 4049 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [1,0,0,1,0,0|2,0,0]=4 4050 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [1,0,0,1,0,0|2,0,0]=4 4051 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [1,0,0,1,0,0|2,0,0]=4 4052 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [1,0,0,1,0,0|2,0,0]=4 4053 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [1,0,0,1,0,0|2,0,0]=4 4054 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [1,0,0,1,0,0|2,0,0]=4 4055 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [1,0,0,1,0,0|2,0,0]=4 4056 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [1,0,0,1,0,0|2,0,0]=4 4057 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [1,0,0,1,0,0|1,0,1]=4 4058 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [1,0,0,1,0,0|1,0,1]=4 4059 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [1,0,0,1,0,0|1,0,1]=4 4060 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [1,0,0,1,0,0|1,0,1]=4 4061 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [1,0,0,1,0,0|0,0,1]=3 4062 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [1,0,0,1,0,0|0,0,1]=3 4063 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [1,0,0,1,0,0|0,0,1]=3 4064 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [1,0,0,1,0,0|1,0,1]=4 4065 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [1,0,0,1,0,0|1,0,1]=4 4066 B9R1.12 CCOCC1CCNC1 34a_100000748654_100000210202 [1,0,0,1,0,0|1,0,1]=4 4067 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [1,0,0,1,0,0|1,0,1]=4 4068 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [1,0,0,1,0,0|1,0,1]=4 4069 B9R1.12 CCOCN1CCCC1 269982a_100000188435_100000739092 [1,0,0,1,0,0|1,0,1]=4 4070 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [1,0,0,1,0,0|1,0,1]=4 4071 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [1,0,0,1,0,0|0,1,1]=4 4072 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [1,0,0,1,0,0|0,1,1]=4 4073 B9R1.12 FCOCC1CCCC1 34a_100000742336_100015361967 [1,0,0,1,0,0|1,0,1]=4 4074 B9R1.12 FCOCC1CCCC1 7a_100000742336_100015361967 [1,0,0,1,0,0|1,0,1]=4 4075 B9R1.39 CCOCN1CCC1C 269982a_100000755817_100000739092 [1,0,0,1,0,0|1,0,1]=4 4076 B9R1.70 CCC(CC)N1CCC1 269982a_100000754969_100000210505 [1,0,0,1,0,0|2,0,0]=4 4077 B9R1.72 CCC(CC)SC1CC1 62a_100000210505_100000211595 [1,0,0,1,0,0|2,0,0]=4 4078 B9R1.193 CCCNC1(CC1)CC 2230a_100000732774_100000210303 [1,0,0,1,0,0|2,0,0]=4 4079 B9R1.193 CCOCC1(CO1)CC 34a_100121572206_200000139556 [1,0,0,1,0,0|1,0,1]=4 4080 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [1,0,0,1,0,0|2,0,0]=4 4081 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [1,0,0,1,0,0|2,0,0]=4 4082 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [1,0,0,1,0,0|2,0,0]=4 4083 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [1,0,0,1,0,0|2,0,0]=4 4084 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [1,0,0,1,0,0|2,0,0]=4 4085 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [1,0,0,1,0,0|1,0,1]=4 4086 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [1,0,0,1,0,0|1,0,0]=3 4087 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [1,0,0,1,0,0|1,0,0]=3 4088 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [1,0,0,1,0,0|1,0,0]=3 4089 B9R1.81 CNC(=O)N1CCC1C 2708a_100102657272_100000755817 [1,0,0,1,0,0|2,0,0]=4 4090 B9R1.81 CNC(=O)N1CCC1C 273464a_100102657272_100000755817 [1,0,0,1,0,0|2,0,0]=4 4091 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [1,0,0,1,0,0|1,0,0]=3 4092 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [1,0,0,1,0,0|1,0,0]=3 4093 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [1,0,0,1,0,0|1,0,0]=3 4094 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [1,0,0,1,0,0|1,0,0]=3 4095 B9R1.190 C#CC1(CC1)C(=O)CC 1458a_100000139144_100000210202 [1,0,0,1,0,0|0,0,2]=4 4096 B9R1.190 CCC(=O)C1(CC1)C#N 1458a_100000210414_100009889376 [1,0,0,1,0,0|1,0,1]=4 4097 B9R1.190 CCC(=O)C1(CC1)C#N 1458a_100000691320_100000210202 [1,0,0,1,0,0|1,0,1]=4 4098 B9R1.190 CCC(=O)C1(CC1)CO 1458a_100012027107_100000210202 [1,0,0,1,0,0|1,0,0]=3 4099 B9R1.190 CCC(=O)C1(CC1)OC 1458a_100000137688_100000210202 [1,0,0,1,0,0|1,0,0]=3 4100 B9R1.190 CNC(=O)C1(CC1)CO 1626a_100102657272_100012027107 [1,0,0,1,0,0|2,0,0]=4 4101 B9R1.190 CNC(=O)C1(CC1)CO 240690a_100102657272_100012027107 [1,0,0,1,0,0|2,0,0]=4 4102 B9R1.190 CNC(=O)C1(CC1)OC 11a_106832991635_100000137688 [1,0,0,1,0,0|2,0,0]=4 4103 B9R1.190 CNC(=O)C1(CC1)OC 1626a_100102657272_100000137688 [1,0,0,1,0,0|2,0,0]=4 4104 B9R1.190 CNC(=O)C1(CC1)OC 240690a_100102657272_100000137688 [1,0,0,1,0,0|2,0,0]=4 4105 B9R1.190 CNC(=O)C1(CC1)OC 527a_100102657272_100000137688 [1,0,0,1,0,0|2,0,0]=4 4106 B9R1.190 CNC1(CC1)C(=O)OC 34a_100102657272_100000698272 [1,0,0,1,0,0|1,0,0]=3 4107 B9R1.190 CNC1(CC1)C(=O)OC 7a_106832991635_100000698272 [1,0,0,1,0,0|1,0,0]=3 4108 B9R1.190 COC(=O)C1(CC1)OC 34a_100000719341_200000210301 [1,0,0,1,0,0|1,0,0]=3 4109 B9R1.190 COC(=O)C1(CC1)OC 34a_100138415774_100000698272 [1,0,0,1,0,0|1,0,0]=3 4110 B9R1.190 COC(=O)C1(CC1)OC 7a_100000719341_200000210301 [1,0,0,1,0,0|1,0,0]=3 4111 B9R1.190 COC(=O)C1(CC1)O[13CH3] 34a_100000719341_200025704644 [1,0,0,1,0,0|1,0,0]=3 4112 B9R1.190 COC(=O)C1(CC1)O[13CH3] 7a_100000719341_200025704644 [1,0,0,1,0,0|1,0,0]=3 4113 B9R1.190 COC(=O)C1(CC1)SC 62a_100000698272_200000210301 [1,0,0,1,0,0|1,0,0]=3 4114 B9R1.190 COC(=O)C1(CC1)SC 62a_200000210301_100000698272 [1,0,0,1,0,0|1,0,0]=3 4115 B9R1.190 COC(=O)C1(CC1)S[13CH3] 62a_100000698272_200025704644 [1,0,0,1,0,0|1,0,0]=3 4116 B9R1.190 COC(=O)C1(CC1)S[13CH3] 62a_200025704644_100000698272 [1,0,0,1,0,0|1,0,0]=3 4117 B9R1.190 COC1(CC1)C(=O)CF 1458a_100000137688_100015361967 [1,0,0,1,0,0|2,0,0]=4 4118 B9R1.190 O=C(CF)C1(CC1)CO 1458a_100012027107_100015361967 [1,0,0,1,0,0|2,0,0]=4 4119 B11R1.30 CC#CC(=O)CC1CCCC1 1458a_100000763181_100000740388 [0,0,0,1,0,1|1,0,1]=4 4120 B11R1.30 CC=CC(=O)CC1CCCC1 1458a_100000210699_100000740388 [0,0,0,1,0,1|1,0,1]=4 4121 B11R1.30 CC=CC(=O)NC1CCCC1 11a_100000211070_100000210699 [0,0,0,1,0,1|1,0,1]=4 4122 B11R1.30 CC=CC(=O)NC1CCCC1 1626a_100000211070_100000210699 [0,0,0,1,0,1|1,0,1]=4 4123 B11R1.30 CC=CC(=O)NC1CCCC1 240690a_100000211070_100000210699 [0,0,0,1,0,1|1,0,1]=4 4124 B11R1.30 CCCC(=O)C=C1CCCC1 1458a_100000743260_100000210303 [0,0,0,1,0,1|1,0,1]=4 4125 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [0,0,0,1,0,1|1,0,0]=3 4126 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [0,0,0,1,0,1|1,0,0]=3 4127 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [0,0,0,1,0,1|2,0,0]=4 4128 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100000211992_100000702531 [0,0,0,1,0,1|2,0,0]=4 4129 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100011218419_100000210303 [0,0,0,1,0,1|2,0,0]=4 4130 B11R1.30 CCCC(=O)CN1CCCC1 1458a_100000740243_100000210303 [0,0,0,1,0,1|2,0,0]=4 4131 B11R1.30 CCCC(=O)CN1CCCC1 2230a_100000188435_100000747444 [0,0,0,1,0,1|2,0,0]=4 4132 B11R1.30 CCCC(=O)CN1CCCC1 269982a_100000188435_100000747444 [0,0,0,1,0,1|2,0,0]=4 4133 B11R1.30 CCCC(=O)NC1CCCC1 11a_100000211070_100000211992 [0,0,0,1,0,1|1,0,0]=3 4134 B11R1.30 CCCC(=O)NC1CCCC1 1626a_100000211070_100000211992 [0,0,0,1,0,1|1,0,0]=3 4135 B11R1.30 CCCC(=O)NC1CCCC1 240690a_100000211070_100000211992 [0,0,0,1,0,1|1,0,0]=3 4136 B11R1.30 CCCC(=O)NC1CCCC1 527a_100000211070_100000211992 [0,0,0,1,0,1|1,0,0]=3 4137 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000211992 [0,0,0,1,0,1|2,0,0]=4 4138 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000211992 [0,0,0,1,0,1|2,0,0]=4 4139 B11R1.30 CCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000211992 [0,0,0,1,0,1|2,0,0]=4 4140 B11R1.30 CCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000211992 [0,0,0,1,0,1|2,0,0]=4 4141 B11R1.30 CCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000211992 [0,0,0,1,0,1|2,0,0]=4 4142 B11R1.30 CCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000211992 [0,0,0,1,0,1|2,0,0]=4 4143 B11R1.30 CCNC(=O)C=C1CCCC1 11a_100015525214_100000743260 [0,0,0,1,0,1|1,0,1]=4 4144 B11R1.30 CCNC(=O)C=C1CCCC1 240690a_100015525214_100000743260 [0,0,0,1,0,1|1,0,1]=4 4145 B11R1.30 CCNC(=O)C=C1CCCC1 527a_100015525214_100000743260 [0,0,0,1,0,1|1,0,1]=4 4146 B11R1.30 CCNC(=O)CC1CCCC1 11a_100015525214_100000210891 [0,0,0,1,0,1|1,0,0]=3 4147 B11R1.30 CCNC(=O)CC1CCCC1 240690a_100015525214_100000210891 [0,0,0,1,0,1|1,0,0]=3 4148 B11R1.30 CCNC(=O)CC1CCCC1 527a_100015525214_100000210891 [0,0,0,1,0,1|1,0,0]=3 4149 B11R1.30 CCNC(=O)CC1CCOC1 11a_100015525214_100011218419 [0,0,0,1,0,1|2,0,0]=4 4150 B11R1.30 CCNC(=O)CC1CCOC1 240690a_100015525214_100011218419 [0,0,0,1,0,1|2,0,0]=4 4151 B11R1.30 CCNC(=O)CC1CCOC1 527a_100015525214_100011218419 [0,0,0,1,0,1|2,0,0]=4 4152 B11R1.30 CCNC(=O)CN1CCCC1 2230a_100000188435_100000183381 [0,0,0,1,0,1|2,0,0]=4 4153 B11R1.30 CCNC(=O)CN1CCCC1 240690a_100015525214_100000740243 [0,0,0,1,0,1|2,0,0]=4 4154 B11R1.30 CCNC(=O)CN1CCCC1 269982a_100000188435_100000183381 [0,0,0,1,0,1|2,0,0]=4 4155 B11R1.30 CCNC(=O)CN1CCCC1 527a_100015525214_100000740243 [0,0,0,1,0,1|2,0,0]=4 4156 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100000211070_100015525214 [0,0,0,1,0,1|1,0,0]=3 4157 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100015525214_100000211070 [0,0,0,1,0,1|1,0,0]=3 4158 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100000211070_100015525214 [0,0,0,1,0,1|1,0,0]=3 4159 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100015525214_100000211070 [0,0,0,1,0,1|1,0,0]=3 4160 B11R1.30 CCNC(=O)NC1CCCC1 512a_100000211070_100015525214 [0,0,0,1,0,1|1,0,0]=3 4161 B11R1.30 CCNC(=O)NC1CCCC1 512a_100015525214_100000211070 [0,0,0,1,0,1|1,0,0]=3 4162 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 2708a_100015525214_200015188469 [0,0,0,1,0,1|2,0,0]=4 4163 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 2708a_200015188469_100015525214 [0,0,0,1,0,1|2,0,0]=4 4164 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 273464a_100015525214_200015188469 [0,0,0,1,0,1|2,0,0]=4 4165 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100015525214 [0,0,0,1,0,1|2,0,0]=4 4166 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 512a_100015525214_200015188469 [0,0,0,1,0,1|2,0,0]=4 4167 B11R1.30 CCNC(=O)N[C@H]1CCOC1 2708a_100015188467_100015525214 [0,0,0,1,0,1|2,0,0]=4 4168 B11R1.30 CCNC(=O)N[C@H]1CCOC1 2708a_100015525214_100015188467 [0,0,0,1,0,1|2,0,0]=4 4169 B11R1.30 CCNC(=O)N[C@H]1CCOC1 273464a_100015188467_100015525214 [0,0,0,1,0,1|2,0,0]=4 4170 B11R1.30 CCNC(=O)N[C@H]1CCOC1 273464a_100015525214_100015188467 [0,0,0,1,0,1|2,0,0]=4 4171 B11R1.30 CCNC(=O)N[C@H]1CCOC1 512a_100015188467_100015525214 [0,0,0,1,0,1|2,0,0]=4 4172 B11R1.30 CCNC(=O)N[C@H]1CCOC1 512a_100015525214_100015188467 [0,0,0,1,0,1|2,0,0]=4 4173 B11R1.30 CCOC(=O)CN1CCCC1 2230a_100000188435_100000188475 [0,0,0,1,0,1|1,0,0]=3 4174 B11R1.30 CCOC(=O)CN1CCCC1 269982a_100000188435_100000188475 [0,0,0,1,0,1|1,0,0]=3 4175 B11R1.30 CCOC(=O)CN1CCSC1 2230a_100011215254_100000188475 [0,0,0,1,0,1|2,0,0]=4 4176 B11R1.30 CCOC(=O)CN1CCSC1 269982a_100011215254_100000188475 [0,0,0,1,0,1|2,0,0]=4 4177 B11R1.30 CNCC(=O)NC1CCCC1 2230a_100000747513_200000210301 [0,0,0,1,0,1|2,0,0]=4 4178 B11R1.30 CNCC(=O)NC1CCCC1 2230a_106832991635_100000183512 [0,0,0,1,0,1|2,0,0]=4 4179 B11R1.30 CNCC(=O)NC1CCCC1 34a_100102657272_100000183512 [0,0,0,1,0,1|2,0,0]=4 4180 B11R1.30 CNCC(=O)NC1CCCC1 7a_106832991635_100000183512 [0,0,0,1,0,1|2,0,0]=4 4181 B11R1.30 CNNC(=O)CC1CCCC1 22a_100016993582_100000210891 [0,0,0,1,0,1|2,0,0]=4 4182 B11R1.30 CNNC(=O)NC1CCCC1 273464a_100000211070_100016993582 [0,0,0,1,0,1|2,0,0]=4 4183 B11R1.30 CNNC(=O)NC1CCCC1 512a_100000211070_100016993582 [0,0,0,1,0,1|2,0,0]=4 4184 B11R1.30 CNNC(=O)NC1CCCC1 512a_100016993582_100000211070 [0,0,0,1,0,1|2,0,0]=4 4185 B11R1.30 COCC(=O)CC1CCCC1 1458a_100000210968_100000740388 [0,0,0,1,0,1|2,0,0]=4 4186 B11R1.30 COCC(=O)NC1CCCC1 11a_100000211070_100000210968 [0,0,0,1,0,1|2,0,0]=4 4187 B11R1.30 COCC(=O)NC1CCCC1 1626a_100000211070_100000210968 [0,0,0,1,0,1|2,0,0]=4 4188 B11R1.30 COCC(=O)NC1CCCC1 240690a_100000211070_100000210968 [0,0,0,1,0,1|2,0,0]=4 4189 B11R1.30 COCC(=O)NC1CCCC1 34a_100138415774_100000183512 [0,0,0,1,0,1|2,0,0]=4 4190 B11R1.30 COCC(=O)NC1CCCC1 527a_100000211070_100000210968 [0,0,0,1,0,1|2,0,0]=4 4191 B11R1.30 CSCC(=O)CC1CCCC1 1458a_100000184570_100000740388 [0,0,0,1,0,1|2,0,0]=4 4192 B11R1.30 CSCC(=O)NC1CCCC1 11a_100000211070_100000184570 [0,0,0,1,0,1|2,0,0]=4 4193 B11R1.30 CSCC(=O)NC1CCCC1 1626a_100000211070_100000184570 [0,0,0,1,0,1|2,0,0]=4 4194 B11R1.30 CSCC(=O)NC1CCCC1 240690a_100000211070_100000184570 [0,0,0,1,0,1|2,0,0]=4 4195 B11R1.30 CSCC(=O)NC1CCCC1 527a_100000211070_100000184570 [0,0,0,1,0,1|2,0,0]=4 4196 B11R1.30 CSCC(=O)NC1CCCC1 62a_100000183512_200000210301 [0,0,0,1,0,1|2,0,0]=4 4197 B11R1.30 CSCC(=O)NC1CCCC1 62a_200000210301_100000183512 [0,0,0,1,0,1|2,0,0]=4 4198 B11R1.30 O=C(CCF)CC1CCCC1 1458a_100000210891_100011217306 [0,0,0,1,0,1|2,0,0]=4 4199 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100000210891_100000211926 [0,0,0,1,0,1|2,0,0]=4 4200 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100011216618_100000740388 [0,0,0,1,0,1|2,0,0]=4 4201 B11R1.30 O=C(CCO)NC1CCCC1 240690a_100000211070_100011216618 [0,0,0,1,0,1|2,0,0]=4 4202 B11R1.30 [13CH3]NCC(=O)NC1CCCC1 2230a_100000747513_200025704644 [0,0,0,1,0,1|2,0,0]=4 4203 B11R1.30 [13CH3]SCC(=O)NC1CCCC1 62a_100000183512_200025704644 [0,0,0,1,0,1|2,0,0]=4 4204 B11R1.30 [13CH3]SCC(=O)NC1CCCC1 62a_200025704644_100000183512 [0,0,0,1,0,1|2,0,0]=4 4205 B11R1.168 CCN(CC)C1CCCC1=O 2230a_100000724800_100000211823 [0,0,0,1,0,1|2,0,0]=4 4206 B11R1.168 CCN(CC)C1CCCC1=O 269956a_100000042499_100000211823 [0,0,0,1,0,1|2,0,0]=4 4207 B11R1.168 CCN(CC)C1CCCC1=O 269982a_100000724800_100000211823 [0,0,0,1,0,1|2,0,0]=4 4208 B11R1.168 CCN(CC)C1CCOC1=O 2230a_100000724800_100000211211 [0,0,0,1,0,1|1,0,0]=3 4209 B11R1.168 CCN(CC)C1CCOC1=O 269982a_100000724800_100000211211 [0,0,0,1,0,1|1,0,0]=3 4210 B11R1.189 CCOC1CCCC(C1)CC 7a_100011985506_100000210202 [0,0,0,1,0,1|1,0,1]=4 4211 B11R1.279 CCN1CCN(C(=O)C1)CC 2230a_100000701330_100000210202 [0,0,0,1,0,1|2,0,0]=4 4212 B11R1.279 CCN1CCN(C(=O)C1)CC 269982a_100000701330_100000204670 [0,0,0,1,0,1|2,0,0]=4 4213 B11R1.291 CCCC(=O)CN1CCC1C 269982a_100000755817_100000747444 [0,0,0,1,0,1|2,0,0]=4 4214 B11R1.291 CCNC(=O)CN1CCC1C 269982a_100000755817_100000183381 [0,0,0,1,0,1|2,0,0]=4 4215 B11R1.291 CCNC(=O)CN1CCC1C 34a_100000755817_100000183381 [0,0,0,1,0,1|2,0,0]=4 4216 B11R1.291 CCOC(=O)CN1CCC1C 269982a_100000755817_100000188475 [0,0,0,1,0,1|1,0,0]=3 4217 B11R1.291 CCOC(=O)CN1CCC1C 34a_100000755817_100000188475 [0,0,0,1,0,1|1,0,0]=3 4218 B11R1.367 CCC(CC)CC(=O)C1CC1 1458a_100000210395_100011215472 [0,0,0,1,0,1|1,0,0]=3 4219 B11R1.367 CCC(CC)CC(=O)C1CO1 1458a_100000701028_100011215472 [0,0,0,1,0,1|2,0,0]=4 4220 B11R1.367 CCC(CC)NC(=O)C1CC1 11a_100000199018_100000210395 [0,0,0,1,0,1|1,0,0]=3 4221 B11R1.367 CCC(CC)NC(=O)C1CC1 1626a_100000199018_100000210395 [0,0,0,1,0,1|1,0,0]=3 4222 B11R1.367 CCC(CC)NC(=O)C1CC1 240690a_100000199018_100000210395 [0,0,0,1,0,1|1,0,0]=3 4223 B11R1.367 CCC(CC)NC(=O)C1CC1 527a_100000199018_100000210395 [0,0,0,1,0,1|1,0,0]=3 4224 B11R1.367 CCC(CC)NC(=O)C1CO1 11a_100000199018_100000701028 [0,0,0,1,0,1|2,0,0]=4 4225 B11R1.367 CCC(CC)NC(=O)C1CO1 1626a_100000199018_100000701028 [0,0,0,1,0,1|2,0,0]=4 4226 B11R1.367 CCC(CC)NC(=O)C1CO1 240690a_100000199018_100000701028 [0,0,0,1,0,1|2,0,0]=4 4227 B11R1.367 CCC(CC)NC(=O)C1CO1 527a_100000199018_100000701028 [0,0,0,1,0,1|2,0,0]=4 4228 B11R1.367 CCN(CC)CC(=O)C1CC1 2230a_100000724800_100000746382 [0,0,0,1,0,1|2,0,0]=4 4229 B11R1.367 CCN(CC)CC(=O)C1CC1 269956a_100000042499_100000746382 [0,0,0,1,0,1|2,0,0]=4 4230 B11R1.367 CCN(CC)CC(=O)C1CC1 269982a_100000724800_100000746382 [0,0,0,1,0,1|2,0,0]=4 4231 B11R1.367 CC[C@@H](CO)NC(=O)C1CC1 240690a_100000709445_100000210395 [0,0,0,1,0,1|2,0,0]=4 4232 B11R1.367 CC[C@@H](CO)NC(=O)C1CC1 527a_100000709445_100000210395 [0,0,0,1,0,1|2,0,0]=4 4233 B11R1.1004 CC=CC(=O)NC1(CC1)CC 11a_100000732774_100000210699 [0,0,0,1,0,1|1,0,1]=4 4234 B11R1.1004 CC=CC(=O)NC1(CC1)CC 1626a_100000732774_100000210699 [0,0,0,1,0,1|1,0,1]=4 4235 B11R1.1004 CC=CC(=O)NC1(CC1)CC 240690a_100000732774_100000210699 [0,0,0,1,0,1|1,0,1]=4 4236 B11R1.1004 CCC1(CC1)NC(=O)CCO 240690a_100000732774_100011216618 [0,0,0,1,0,1|2,0,0]=4 4237 B11R1.1004 CCC1(CC1)NC(=O)COC 11a_100000732774_100000210968 [0,0,0,1,0,1|2,0,0]=4 4238 B11R1.1004 CCC1(CC1)NC(=O)COC 1626a_100000732774_100000210968 [0,0,0,1,0,1|2,0,0]=4 4239 B11R1.1004 CCC1(CC1)NC(=O)COC 240690a_100000732774_100000210968 [0,0,0,1,0,1|2,0,0]=4 4240 B11R1.1004 CCC1(CC1)NC(=O)COC 527a_100000732774_100000210968 [0,0,0,1,0,1|2,0,0]=4 4241 B11R1.1004 CCC1(CC1)NC(=O)CSC 11a_100000732774_100000184570 [0,0,0,1,0,1|2,0,0]=4 4242 B11R1.1004 CCC1(CC1)NC(=O)CSC 1626a_100000732774_100000184570 [0,0,0,1,0,1|2,0,0]=4 4243 B11R1.1004 CCC1(CC1)NC(=O)CSC 240690a_100000732774_100000184570 [0,0,0,1,0,1|2,0,0]=4 4244 B11R1.1004 CCC1(CC1)NC(=O)CSC 527a_100000732774_100000184570 [0,0,0,1,0,1|2,0,0]=4 4245 B11R1.1004 CCC1(CC1)NC(=O)NNC 273464a_100000732774_100016993582 [0,0,0,1,0,1|2,0,0]=4 4246 B11R1.1004 CCC1(CC1)NC(=O)NNC 512a_100000732774_100016993582 [0,0,0,1,0,1|2,0,0]=4 4247 B11R1.1004 CCCC(=O)CC1(CO1)CC 1458a_100000211992_200000139556 [0,0,0,1,0,1|2,0,0]=4 4248 B11R1.1004 CCCC(=O)NC1(CC1)CC 11a_100000732774_100000211992 [0,0,0,1,0,1|1,0,0]=3 4249 B11R1.1004 CCCC(=O)NC1(CC1)CC 1626a_100000732774_100000211992 [0,0,0,1,0,1|1,0,0]=3 4250 B11R1.1004 CCCC(=O)NC1(CC1)CC 240690a_100000732774_100000211992 [0,0,0,1,0,1|1,0,0]=3 4251 B11R1.1004 CCCC(=O)NC1(CC1)CC 527a_100000732774_100000211992 [0,0,0,1,0,1|1,0,0]=3 4252 B11R1.1004 CCCC(=O)NC1(CC1)CF 11a_100000054953_100000211992 [0,0,0,1,0,1|2,0,0]=4 4253 B11R1.1004 CCCC(=O)NC1(CC1)CF 1626a_100000054953_100000211992 [0,0,0,1,0,1|2,0,0]=4 4254 B11R1.1004 CCCC(=O)NC1(CC1)CF 240690a_100000054953_100000211992 [0,0,0,1,0,1|2,0,0]=4 4255 B11R1.1004 CCCC(=O)NC1(CC1)CF 527a_100000054953_100000211992 [0,0,0,1,0,1|2,0,0]=4 4256 B11R1.1004 CCCC(=O)NC1(CC1)CO 240690a_100000692850_100000211992 [0,0,0,1,0,1|2,0,0]=4 4257 B11R1.1004 CCCC(=O)NC1(CC1)CO 527a_100000692850_100000211992 [0,0,0,1,0,1|2,0,0]=4 4258 B11R1.1004 CCNC(=O)NC1(CC1)CC 2708a_100015525214_100000732774 [0,0,0,1,0,1|1,0,0]=3 4259 B11R1.1004 CCNC(=O)NC1(CC1)CC 273464a_100000732774_100015525214 [0,0,0,1,0,1|1,0,0]=3 4260 B11R1.1004 CCNC(=O)NC1(CC1)CC 273464a_100015525214_100000732774 [0,0,0,1,0,1|1,0,0]=3 4261 B11R1.1004 CCNC(=O)NC1(CC1)CC 512a_100000732774_100015525214 [0,0,0,1,0,1|1,0,0]=3 4262 B11R1.1004 CCNC(=O)NC1(CC1)CF 2708a_100015525214_100000054953 [0,0,0,1,0,1|2,0,0]=4 4263 B11R1.1004 CCNC(=O)NC1(CC1)CF 273464a_100000054953_100015525214 [0,0,0,1,0,1|2,0,0]=4 4264 B11R1.1004 CCNC(=O)NC1(CC1)CF 273464a_100015525214_100000054953 [0,0,0,1,0,1|2,0,0]=4 4265 B11R1.1004 CCNC(=O)NC1(CC1)CF 512a_100000054953_100015525214 [0,0,0,1,0,1|2,0,0]=4 4266 B11R1.1004 CCNC(=O)NC1(CC1)CF 512a_100015525214_100000054953 [0,0,0,1,0,1|2,0,0]=4 4267 B11R1.1004 CCNC(=O)NC1(CC1)CO 2708a_100015525214_100000692850 [0,0,0,1,0,1|2,0,0]=4 4268 B11R1.1004 CCNC(=O)NC1(CC1)CO 273464a_100000692850_100015525214 [0,0,0,1,0,1|2,0,0]=4 4269 B11R1.1004 CCNC(=O)NC1(CC1)CO 273464a_100015525214_100000692850 [0,0,0,1,0,1|2,0,0]=4 4270 B11R1.11 CCC(CC)c1nc(no1)C 270196a_100000212224_100000211163 [0,1,0,1,0,0|1,0,1]=4 4271 B11R1.11 CCC(CC)c1noc(n1)C 270196a_100000753951_100000070787 [0,1,0,1,0,0|1,0,1]=4 4272 B11R1.12 CCC(CC)N1CCCOC1 269982a_100000131196_100000210505 [0,1,0,1,0,0|2,0,0]=4 4273 B11R1.12 CCC(CC)N1CCCOC1 270004a_100000131196_100000210860 [0,1,0,1,0,0|2,0,0]=4 4274 B11R1.41 CCOC1CCCCC1CC 34a_100000210738_100000210202 [0,1,0,1,0,0|1,0,1]=4 4275 B11R1.41 CCOC1CCCCC1CC 7a_100000210738_100000210202 [0,1,0,1,0,0|1,0,1]=4 4276 B11R1.265 CCC1C(=O)NCCN1CC 2230a_100000187962_100000210202 [0,1,0,1,0,0|1,0,0]=3 4277 B11R1.265 CCC1C(=O)NCCN1CC 269982a_100000187962_100000204670 [0,1,0,1,0,0|1,0,0]=3 4278 B11R1.265 CCC1C(=O)NCCN1CC 34a_100000187962_100000210202 [0,1,0,1,0,0|1,0,0]=3 4279 B11R1.265 CCC1C(=O)NCCN1CF 269982a_100000187962_100015361967 [0,1,0,1,0,0|2,0,0]=4 4280 B11R1.265 CCC1C(=O)NCCN1CF 34a_100000187962_100015361967 [0,1,0,1,0,0|2,0,0]=4 4281 B11R1.18 CCNN=C1CCCC1CC 4a_100000756455_100000749056 [0,1,0,1,0,0|2,0,0]=4 4282 B11R1.18 CCOCN1CCCC1CC 269982a_100000754278_100000739092 [0,1,0,1,0,0|2,0,0]=4 4283 B11R1.29 C#CCCC(=O)C1CCCC1 1458a_100000210718_100000753159 [0,1,0,1,0,0|1,0,1]=4 4284 B11R1.29 C#CCCC(=O)C1CCCC1 1458a_100000692101_100000179811 [0,1,0,1,0,0|1,0,1]=4 4285 B11R1.29 C#CCNC(=O)C1CCCC1 11a_100000212058_100000210718 [0,1,0,1,0,0|1,0,1]=4 4286 B11R1.29 C#CCNC(=O)C1CCCC1 1626a_100000212058_100000210718 [0,1,0,1,0,0|1,0,1]=4 4287 B11R1.29 C#CCNC(=O)C1CCCC1 240690a_100000212058_100000210718 [0,1,0,1,0,0|1,0,1]=4 4288 B11R1.29 C#CCNC(=O)C1CCCC1 527a_100000212058_100000210718 [0,1,0,1,0,0|1,0,1]=4 4289 B11R1.29 C/C=C/CC(=O)C1CCCC1 1458a_100000210718_100102629194 [0,1,0,1,0,0|1,0,1]=4 4290 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000210718_100000754431 [0,1,0,1,0,0|1,0,1]=4 4291 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000749702_100000179811 [0,1,0,1,0,0|1,0,1]=4 4292 B11R1.29 C=CCNC(=O)C1CCCC1 1626a_100020586998_100000210718 [0,1,0,1,0,0|1,0,1]=4 4293 B11R1.29 C=CCNC(=O)C1CCCC1 240690a_100020586998_100000210718 [0,1,0,1,0,0|1,0,1]=4 4294 B11R1.29 C=CCNC(=O)C1CCCC1 527a_100020586998_100000210718 [0,1,0,1,0,0|1,0,1]=4 4295 B11R1.29 CC#CCC(=O)C1CCCC1 1458a_100000210718_100000748600 [0,1,0,1,0,0|1,0,1]=4 4296 B11R1.29 CC(OCCF)C1CCCC1 34a_100011216366_100011217306 [0,1,0,1,0,0|1,0,1]=4 4297 B11R1.29 CC(OCCF)C1CCCC1 7a_100011216366_100011217306 [0,1,0,1,0,0|1,0,1]=4 4298 B11R1.29 CC(OCCO)C1CCCC1 34a_100011216366_100000211926 [0,1,0,1,0,0|1,0,1]=4 4299 B11R1.29 CC(OCCO)C1CCCC1 7a_100011216366_100000211926 [0,1,0,1,0,0|1,0,1]=4 4300 B11R1.29 CC=CCC(=O)C1CCCC1 1458a_100000210718_100000070051 [0,1,0,1,0,0|1,0,1]=4 4301 B11R1.29 CC=CCC(=O)C1CCCC1 1458a_100121576822_100000179811 [0,1,0,1,0,0|1,0,1]=4 4302 B11R1.29 CC=NNC(=O)C1CCCC1 4a_100000189808_200000210099 [0,1,0,1,0,0|1,0,1]=4 4303 B11R1.29 CCC#CC(=O)C1CCCC1 1458a_100011827653_100000179811 [0,1,0,1,0,0|1,0,0]=3 4304 B11R1.29 CCC#CC(=O)C1CCOC1 1458a_100011827653_100000690089 [0,1,0,1,0,0|2,0,0]=4 4305 B11R1.29 CCC=CC(=O)C1CCCC1 1458a_100000212282_100000179811 [0,1,0,1,0,0|1,0,0]=3 4306 B11R1.29 CCC=CC(=O)C1CCOC1 1458a_100000212282_100000690089 [0,1,0,1,0,0|2,0,0]=4 4307 B11R1.29 CCC=CC(=O)N1CCCC1 240690a_100000188435_100000212282 [0,1,0,1,0,0|2,0,0]=4 4308 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210183_100000179811 [0,1,0,1,0,0|1,0,0]=3 4309 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210718_100000210211 [0,1,0,1,0,0|1,0,0]=3 4310 B11R1.29 CCCCC(=O)C1CCCS1 1458a_100012002731_100000210211 [0,1,0,1,0,0|2,0,0]=4 4311 B11R1.29 CCCCC(=O)C1CCOC1 1458a_100000210183_100000690089 [0,1,0,1,0,0|2,0,0]=4 4312 B11R1.29 CCCCC(=O)C1CCOC1 1458a_100011219752_100000210211 [0,1,0,1,0,0|2,0,0]=4 4313 B11R1.29 CCCCC(=O)N1CCCC1 240690a_100000188435_100000210183 [0,1,0,1,0,0|2,0,0]=4 4314 B11R1.29 CCCCC(=O)N1CCCC1 527a_100000188435_100000210183 [0,1,0,1,0,0|2,0,0]=4 4315 B11R1.29 CCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210211 [0,1,0,1,0,0|2,0,0]=4 4316 B11R1.29 CCCNC(=O)C1CCCC1 11a_100020643023_100000210718 [0,1,0,1,0,0|1,0,0]=3 4317 B11R1.29 CCCNC(=O)C1CCCC1 1626a_100020643023_100000210718 [0,1,0,1,0,0|1,0,0]=3 4318 B11R1.29 CCCNC(=O)C1CCCC1 240690a_100020643023_100000210718 [0,1,0,1,0,0|1,0,0]=3 4319 B11R1.29 CCCNC(=O)C1CCCC1 527a_100020643023_100000210718 [0,1,0,1,0,0|1,0,0]=3 4320 B11R1.29 CCCNC(=O)C1CCCS1 11a_100020643023_100012002731 [0,1,0,1,0,0|2,0,0]=4 4321 B11R1.29 CCCNC(=O)C1CCCS1 1626a_100020643023_100012002731 [0,1,0,1,0,0|2,0,0]=4 4322 B11R1.29 CCCNC(=O)C1CCCS1 240690a_100020643023_100012002731 [0,1,0,1,0,0|2,0,0]=4 4323 B11R1.29 CCCNC(=O)C1CCCS1 527a_100020643023_100012002731 [0,1,0,1,0,0|2,0,0]=4 4324 B11R1.29 CCCNC(=O)C1CCOC1 11a_100020643023_100011219752 [0,1,0,1,0,0|2,0,0]=4 4325 B11R1.29 CCCNC(=O)C1CCOC1 1626a_100020643023_100011219752 [0,1,0,1,0,0|2,0,0]=4 4326 B11R1.29 CCCNC(=O)C1CCOC1 240690a_100020643023_100011219752 [0,1,0,1,0,0|2,0,0]=4 4327 B11R1.29 CCCNC(=O)C1CCOC1 527a_100020643023_100011219752 [0,1,0,1,0,0|2,0,0]=4 4328 B11R1.29 CCCNC(=O)N1CCCC1 2708a_100020643023_100000188435 [0,1,0,1,0,0|2,0,0]=4 4329 B11R1.29 CCCNC(=O)N1CCCC1 273464a_100020643023_100000188435 [0,1,0,1,0,0|2,0,0]=4 4330 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 11a_100020643023_100000686382 [0,1,0,1,0,0|2,0,0]=4 4331 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 1626a_100020643023_100000686382 [0,1,0,1,0,0|2,0,0]=4 4332 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 240690a_100020643023_100000686382 [0,1,0,1,0,0|2,0,0]=4 4333 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 527a_100020643023_100000686382 [0,1,0,1,0,0|2,0,0]=4 4334 B11R1.29 CCCOC(C)C1CCCC1 34a_100011216366_100000210303 [0,1,0,1,0,0|1,0,1]=4 4335 B11R1.29 CCCOC(C)C1CCCC1 7a_100011216366_100000210303 [0,1,0,1,0,0|1,0,1]=4 4336 B11R1.29 CCNCC(=O)N1CCCC1 2230a_100000751844_100000210202 [0,1,0,1,0,0|2,0,0]=4 4337 B11R1.29 CCNCC(=O)N1CCCC1 2230a_100015525214_100000183516 [0,1,0,1,0,0|2,0,0]=4 4338 B11R1.29 CCNN=C(C)C1CCCC1 4a_100000756455_100000749594 [0,1,0,1,0,0|2,0,0]=4 4339 B11R1.29 CCNNC(=O)C1CCCC1 22a_100000756455_100000210718 [0,1,0,1,0,0|1,0,0]=3 4340 B11R1.29 CCNNC(=O)C1CCCS1 22a_100000756455_100012002731 [0,1,0,1,0,0|2,0,0]=4 4341 B11R1.29 CCNNC(=O)C1CCOC1 22a_100000756455_100011219752 [0,1,0,1,0,0|2,0,0]=4 4342 B11R1.29 CCNNC(=O)[C@@H]1CCCO1 22a_100000756455_100000686382 [0,1,0,1,0,0|2,0,0]=4 4343 B11R1.29 CCOCC(=O)C1CCCC1 1458a_100000211967_100000179811 [0,1,0,1,0,0|0,0,0]=2 4344 B11R1.29 CCOCC(=O)C1CCOC1 1458a_100000211967_100000690089 [0,1,0,1,0,0|1,0,0]=3 4345 B11R1.29 CCOCC(=O)N1CCCC1 240690a_100000188435_100000211967 [0,1,0,1,0,0|1,0,0]=3 4346 B11R1.29 CCOCC(=O)N1CCCC1 34a_100121572206_100000183516 [0,1,0,1,0,0|1,0,0]=3 4347 B11R1.29 CCOCC(=O)N1CCCC1 527a_100000188435_100000211967 [0,1,0,1,0,0|1,0,0]=3 4348 B11R1.29 CCOCC(=O)N1CCCC1 7a_200000752455_100000210202 [0,1,0,1,0,0|1,0,0]=3 4349 B11R1.29 CCOCC(=O)N1CCSC1 11a_100011215254_100000211967 [0,1,0,1,0,0|2,0,0]=4 4350 B11R1.29 CCOCC(=O)N1CCSC1 240690a_100011215254_100000211967 [0,1,0,1,0,0|2,0,0]=4 4351 B11R1.29 CCOCC(=O)N1CCSC1 527a_100011215254_100000211967 [0,1,0,1,0,0|2,0,0]=4 4352 B11R1.29 CCOCN(C)C1CCCC1 269982a_100000207505_100000739092 [0,1,0,1,0,0|2,0,0]=4 4353 B11R1.29 CCSCC(=O)C1CCCC1 1458a_100000230394_100000179811 [0,1,0,1,0,0|0,1,0]=3 4354 B11R1.29 CCSCC(=O)C1CCOC1 1458a_100000230394_100000690089 [0,1,0,1,0,0|1,1,0]=4 4355 B11R1.29 CCSCC(=O)N1CCCC1 240690a_100000188435_100000230394 [0,1,0,1,0,0|1,1,0]=4 4356 B11R1.29 CCSCC(=O)N1CCCC1 527a_100000188435_100000230394 [0,1,0,1,0,0|1,1,0]=4 4357 B11R1.29 CCSCC(=O)N1CCCC1 62a_100000183516_100000210202 [0,1,0,1,0,0|1,1,0]=4 4358 B11R1.29 CCSCC(=O)N1CCCC1 62a_100000210202_100000183516 [0,1,0,1,0,0|1,1,0]=4 4359 B11R1.29 CNCCC(=O)N1CCCC1 2230a_106832991635_100011194422 [0,1,0,1,0,0|2,0,0]=4 4360 B11R1.29 CNCCC(=O)N1CCCC1 34a_100102657272_100011194422 [0,1,0,1,0,0|2,0,0]=4 4361 B11R1.29 CNCCC(=O)N1CCCC1 7a_106832991635_100011194422 [0,1,0,1,0,0|2,0,0]=4 4362 B11R1.29 COC=CC(=O)C1CCCC1 1458a_100016268678_100000179811 [0,1,0,1,0,0|1,0,1]=4 4363 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000210718_100000233755 [0,1,0,1,0,0|1,0,0]=3 4364 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000749529_100000179811 [0,1,0,1,0,0|1,0,0]=3 4365 B11R1.29 COCCC(=O)C1CCCS1 1458a_100012002731_100000233755 [0,1,0,1,0,0|2,0,0]=4 4366 B11R1.29 COCCC(=O)C1CCOC1 1458a_100000749529_100000690089 [0,1,0,1,0,0|2,0,0]=4 4367 B11R1.29 COCCC(=O)C1CCOC1 1458a_100011219752_100000233755 [0,1,0,1,0,0|2,0,0]=4 4368 B11R1.29 COCCC(=O)N1CCCC1 240690a_100000188435_100000749529 [0,1,0,1,0,0|2,0,0]=4 4369 B11R1.29 COCCC(=O)N1CCCC1 34a_100138415774_100011194422 [0,1,0,1,0,0|2,0,0]=4 4370 B11R1.29 COCCC(=O)N1CCCC1 527a_100000188435_100000749529 [0,1,0,1,0,0|2,0,0]=4 4371 B11R1.29 COCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000233755 [0,1,0,1,0,0|2,0,0]=4 4372 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000174002_100000179811 [0,1,0,1,0,0|1,0,0]=3 4373 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000210718_100000751147 [0,1,0,1,0,0|1,0,0]=3 4374 B11R1.29 CSCCC(=O)C1CCCS1 1458a_100012002731_100000751147 [0,1,0,1,0,0|2,0,0]=4 4375 B11R1.29 CSCCC(=O)C1CCOC1 1458a_100000174002_100000690089 [0,1,0,1,0,0|2,0,0]=4 4376 B11R1.29 CSCCC(=O)C1CCOC1 1458a_100011219752_100000751147 [0,1,0,1,0,0|2,0,0]=4 4377 B11R1.29 CSCCC(=O)N1CCCC1 240690a_100000188435_100000174002 [0,1,0,1,0,0|2,0,0]=4 4378 B11R1.29 CSCCC(=O)N1CCCC1 527a_100000188435_100000174002 [0,1,0,1,0,0|2,0,0]=4 4379 B11R1.29 CSCCC(=O)N1CCCC1 62a_100011194422_200000210301 [0,1,0,1,0,0|2,0,0]=4 4380 B11R1.29 CSCCC(=O)N1CCCC1 62a_200000210301_100011194422 [0,1,0,1,0,0|2,0,0]=4 4381 B11R1.29 CSCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000751147 [0,1,0,1,0,0|2,0,0]=4 4382 B11R1.29 CSCOC(C)C1CCCC1 34a_100011216366_100011218213 [0,1,0,1,0,0|1,0,1]=4 4383 B11R1.29 N#CCCC(=O)C1CCCC1 1458a_100000210718_100011215226 [0,1,0,1,0,0|1,0,1]=4 4384 B11R1.29 N#CCCC(=O)C1CCCC1 1458a_100011934036_100000179811 [0,1,0,1,0,0|1,0,1]=4 4385 B11R1.29 N#CCNC(=O)C1CCCC1 1626a_100000734998_100000210718 [0,1,0,1,0,0|1,0,1]=4 4386 B11R1.29 N#CCNC(=O)C1CCCC1 527a_100000734998_100000210718 [0,1,0,1,0,0|1,0,1]=4 4387 B11R1.29 O=C(C#CCO)C1CCCC1 1458a_100000049017_100000179811 [0,1,0,1,0,0|1,0,1]=4 4388 B11R1.29 O=C(CCCF)C1CCCC1 1458a_100000210718_100011934791 [0,1,0,1,0,0|1,0,0]=3 4389 B11R1.29 O=C(CCCF)C1CCCS1 1458a_100012002731_100011934791 [0,1,0,1,0,0|2,0,0]=4 4390 B11R1.29 O=C(CCCF)C1CCOC1 1458a_100011219752_100011934791 [0,1,0,1,0,0|2,0,0]=4 4391 B11R1.29 O=C(CCCF)[C@@H]1CCCO1 1458a_100000686382_100011934791 [0,1,0,1,0,0|2,0,0]=4 4392 B11R1.29 O=C(CCCO)C1CCCC1 1458a_100000210718_100011215043 [0,1,0,1,0,0|1,0,0]=3 4393 B11R1.29 O=C(CCCO)C1CCCS1 1458a_100012002731_100011215043 [0,1,0,1,0,0|2,0,0]=4 4394 B11R1.29 O=C(CCCO)C1CCOC1 1458a_100011219752_100011215043 [0,1,0,1,0,0|2,0,0]=4 4395 B11R1.29 O=C(CCCO)[C@@H]1CCCO1 1458a_100000686382_100011215043 [0,1,0,1,0,0|2,0,0]=4 4396 B11R1.29 O=C(COCF)N1CCCC1 7a_200000752455_100015361967 [0,1,0,1,0,0|2,0,0]=4 4397 B11R1.29 O=C(NCCF)C1CCCC1 11a_100000724931_100000210718 [0,1,0,1,0,0|1,0,0]=3 4398 B11R1.29 O=C(NCCF)C1CCCC1 1626a_100000724931_100000210718 [0,1,0,1,0,0|1,0,0]=3 4399 B11R1.29 O=C(NCCF)C1CCCC1 240690a_100000724931_100000210718 [0,1,0,1,0,0|1,0,0]=3 4400 B11R1.29 O=C(NCCF)C1CCCC1 527a_100000724931_100000210718 [0,1,0,1,0,0|1,0,0]=3 4401 B11R1.29 O=C(NCCF)C1CCCS1 11a_100000724931_100012002731 [0,1,0,1,0,0|2,0,0]=4 4402 B11R1.29 O=C(NCCF)C1CCCS1 1626a_100000724931_100012002731 [0,1,0,1,0,0|2,0,0]=4 4403 B11R1.29 O=C(NCCF)C1CCCS1 240690a_100000724931_100012002731 [0,1,0,1,0,0|2,0,0]=4 4404 B11R1.29 O=C(NCCF)C1CCCS1 527a_100000724931_100012002731 [0,1,0,1,0,0|2,0,0]=4 4405 B11R1.29 O=C(NCCF)C1CCOC1 11a_100000724931_100011219752 [0,1,0,1,0,0|2,0,0]=4 4406 B11R1.29 O=C(NCCF)C1CCOC1 1626a_100000724931_100011219752 [0,1,0,1,0,0|2,0,0]=4 4407 B11R1.29 O=C(NCCF)C1CCOC1 240690a_100000724931_100011219752 [0,1,0,1,0,0|2,0,0]=4 4408 B11R1.29 O=C(NCCF)C1CCOC1 527a_100000724931_100011219752 [0,1,0,1,0,0|2,0,0]=4 4409 B11R1.29 O=C(NCCF)N1CCCC1 273464a_100000724931_100000188435 [0,1,0,1,0,0|2,0,0]=4 4410 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 11a_100000724931_100000686382 [0,1,0,1,0,0|2,0,0]=4 4411 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 1626a_100000724931_100000686382 [0,1,0,1,0,0|2,0,0]=4 4412 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 240690a_100000724931_100000686382 [0,1,0,1,0,0|2,0,0]=4 4413 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 527a_100000724931_100000686382 [0,1,0,1,0,0|2,0,0]=4 4414 B11R1.29 O=C(NCCO)C1CCCC1 240690a_100000210304_100000210718 [0,1,0,1,0,0|1,0,0]=3 4415 B11R1.29 O=C(NCCO)C1CCCC1 527a_100000210304_100000210718 [0,1,0,1,0,0|1,0,0]=3 4416 B11R1.29 O=C(NCCO)C1CCCS1 240690a_100000210304_100012002731 [0,1,0,1,0,0|2,0,0]=4 4417 B11R1.29 O=C(NCCO)C1CCCS1 527a_100000210304_100012002731 [0,1,0,1,0,0|2,0,0]=4 4418 B11R1.29 O=C(NCCO)C1CCOC1 240690a_100000210304_100011219752 [0,1,0,1,0,0|2,0,0]=4 4419 B11R1.29 O=C(NCCO)C1CCOC1 527a_100000210304_100011219752 [0,1,0,1,0,0|2,0,0]=4 4420 B11R1.29 O=C(NCCO)N1CCCC1 273464a_100000210304_100000188435 [0,1,0,1,0,0|2,0,0]=4 4421 B11R1.29 O=C(NCCO)[C@@H]1CCCO1 240690a_100000210304_100000686382 [0,1,0,1,0,0|2,0,0]=4 4422 B11R1.29 O=C(NCCO)[C@@H]1CCCO1 527a_100000210304_100000686382 [0,1,0,1,0,0|2,0,0]=4 4423 B11R1.29 [13CH3]SCCC(=O)N1CCCC1 62a_100011194422_200025704644 [0,1,0,1,0,0|2,0,0]=4 4424 B11R1.29 [13CH3]SCCC(=O)N1CCCC1 62a_200025704644_100011194422 [0,1,0,1,0,0|2,0,0]=4 4425 B11R1.72 CCC1C(=O)N(CCN1C)C 2230a_100015184039_200000210301 [0,1,0,1,0,0|2,0,0]=4 4426 B11R1.72 CCC1C(=O)N(CCN1C)C 269982a_100015184039_200000210301 [0,1,0,1,0,0|2,0,0]=4 4427 B11R1.72 CCC1C(=O)N(CCN1C)C 34a_100015184039_200000210301 [0,1,0,1,0,0|2,0,0]=4 4428 B11R1.72 CCC1C(=O)N(CCN1[13CH3])C 2230a_100015184039_200025704644 [0,1,0,1,0,0|2,0,0]=4 4429 B11R1.72 CCC1C(=O)N(CCN1[13CH3])C 269982a_100015184039_200025704644 [0,1,0,1,0,0|2,0,0]=4 4430 B11R1.72 CCC1C(=O)N(CCN1[13CH3])C 34a_100015184039_200025704644 [0,1,0,1,0,0|2,0,0]=4 4431 B11R1.286 CC1CCN1C(=O)NCCF 273464a_100000724931_100000755817 [0,1,0,1,0,0|2,0,0]=4 4432 B11R1.286 CC1CCN1C(=O)NCCO 273464a_100000210304_100000755817 [0,1,0,1,0,0|2,0,0]=4 4433 B11R1.286 CCC=CC(=O)N1CCC1C 11a_100000755817_100000212282 [0,1,0,1,0,0|2,0,0]=4 4434 B11R1.286 CCC=CC(=O)N1CCC1C 240690a_100000755817_100000212282 [0,1,0,1,0,0|2,0,0]=4 4435 B11R1.286 CCCCC(=O)N1CCC1C 11a_100000755817_100000210183 [0,1,0,1,0,0|2,0,0]=4 4436 B11R1.286 CCCCC(=O)N1CCC1C 240690a_100000755817_100000210183 [0,1,0,1,0,0|2,0,0]=4 4437 B11R1.286 CCCCC(=O)N1CCC1C 527a_100000755817_100000210183 [0,1,0,1,0,0|2,0,0]=4 4438 B11R1.286 CCCNC(=O)N1CCC1C 2708a_100020643023_100000755817 [0,1,0,1,0,0|2,0,0]=4 4439 B11R1.286 CCCNC(=O)N1CCC1C 273464a_100020643023_100000755817 [0,1,0,1,0,0|2,0,0]=4 4440 B11R1.286 CCOCC(=O)C1CCC1=O 1458a_100000211967_100009892977 [0,1,0,1,0,0|1,0,1]=4 4441 B11R1.286 CCOCC(=O)N1CCC1C 11a_100000755817_100000211967 [0,1,0,1,0,0|1,0,0]=3 4442 B11R1.286 CCOCC(=O)N1CCC1C 240690a_100000755817_100000211967 [0,1,0,1,0,0|1,0,0]=3 4443 B11R1.286 CCOCC(=O)N1CCC1C 527a_100000755817_100000211967 [0,1,0,1,0,0|1,0,0]=3 4444 B11R1.286 CCSCC(=O)N1CCC1C 11a_100000755817_100000230394 [0,1,0,1,0,0|1,1,0]=4 4445 B11R1.286 CCSCC(=O)N1CCC1C 240690a_100000755817_100000230394 [0,1,0,1,0,0|1,1,0]=4 4446 B11R1.286 CCSCC(=O)N1CCC1C 527a_100000755817_100000230394 [0,1,0,1,0,0|1,1,0]=4 4447 B11R1.286 COCCC(=O)N1CCC1C 11a_100000755817_100000749529 [0,1,0,1,0,0|2,0,0]=4 4448 B11R1.286 COCCC(=O)N1CCC1C 240690a_100000755817_100000749529 [0,1,0,1,0,0|2,0,0]=4 4449 B11R1.286 COCCC(=O)N1CCC1C 527a_100000755817_100000749529 [0,1,0,1,0,0|2,0,0]=4 4450 B11R1.286 CSCCC(=O)N1CCC1C 11a_100000755817_100000174002 [0,1,0,1,0,0|2,0,0]=4 4451 B11R1.286 CSCCC(=O)N1CCC1C 240690a_100000755817_100000174002 [0,1,0,1,0,0|2,0,0]=4 4452 B11R1.286 CSCCC(=O)N1CCC1C 527a_100000755817_100000174002 [0,1,0,1,0,0|2,0,0]=4 4453 B11R1.386 CCC(CC)C(=O)C1CCC1 1458a_100000209988_100000210505 [0,1,0,1,0,0|1,0,0]=3 4454 B11R1.386 CCC(CC)C(=O)C1CCC1 1458a_100000211163_100000749161 [0,1,0,1,0,0|1,0,0]=3 4455 B11R1.386 CCC(CC)C(=O)C1CCO1 1458a_100000089072_100000210505 [0,1,0,1,0,0|0,0,0]=2 4456 B11R1.386 CCC(CC)C(=O)C1COC1 1458a_100000211163_100000687716 [0,1,0,1,0,0|1,0,0]=3 4457 B11R1.386 CCC(CC)C(=O)C1COC1 1458a_100000758290_100000210505 [0,1,0,1,0,0|1,0,0]=3 4458 B11R1.386 CCC(CC)C(=O)N1CCC1 11a_100000754969_100000211163 [0,1,0,1,0,0|1,0,0]=3 4459 B11R1.386 CCC(CC)C(=O)N1CCC1 240690a_100000754969_100000211163 [0,1,0,1,0,0|1,0,0]=3 4460 B11R1.386 CCC(CC)C(=O)N1CCC1 527a_100000754969_100000211163 [0,1,0,1,0,0|1,0,0]=3 4461 B11R1.386 CCC(OC)C(=O)C1CCC1 1458a_100000747056_100000749161 [0,1,0,1,0,0|2,0,0]=4 4462 B11R1.386 CCC(OC)C(=O)C1COC1 1458a_100000747056_100000687716 [0,1,0,1,0,0|2,0,0]=4 4463 B11R1.386 CCC(OC)C(=O)N1CCC1 11a_100000754969_100000747056 [0,1,0,1,0,0|2,0,0]=4 4464 B11R1.386 CCC(OC)C(=O)N1CCC1 240690a_100000754969_100000747056 [0,1,0,1,0,0|2,0,0]=4 4465 B11R1.386 CCC(OC)C(=O)N1CCC1 527a_100000754969_100000747056 [0,1,0,1,0,0|2,0,0]=4 4466 B11R1.386 CCN(CC)C(=O)C1CCC1 11a_100000724800_100000209988 [0,1,0,1,0,0|2,0,0]=4 4467 B11R1.386 CCN(CC)C(=O)C1CCC1 1626a_100000724800_100000209988 [0,1,0,1,0,0|2,0,0]=4 4468 B11R1.386 CCN(CC)C(=O)C1CCC1 240690a_100000724800_100000209988 [0,1,0,1,0,0|2,0,0]=4 4469 B11R1.386 CCN(CC)C(=O)C1CCC1 527a_100000724800_100000209988 [0,1,0,1,0,0|2,0,0]=4 4470 B11R1.386 CCN(CC)C(=O)C1CCO1 11a_100000724800_100000089072 [0,1,0,1,0,0|1,0,0]=3 4471 B11R1.386 CCN(CC)C(=O)C1CCO1 1626a_100000724800_100000089072 [0,1,0,1,0,0|1,0,0]=3 4472 B11R1.386 CCN(CC)C(=O)C1CCO1 240690a_100000724800_100000089072 [0,1,0,1,0,0|1,0,0]=3 4473 B11R1.386 CCN(CC)C(=O)C1CCO1 527a_100000724800_100000089072 [0,1,0,1,0,0|1,0,0]=3 4474 B11R1.386 CCN(CC)C(=O)C1COC1 11a_100000724800_100000758290 [0,1,0,1,0,0|2,0,0]=4 4475 B11R1.386 CCN(CC)C(=O)C1COC1 1626a_100000724800_100000758290 [0,1,0,1,0,0|2,0,0]=4 4476 B11R1.386 CCN(CC)C(=O)C1COC1 240690a_100000724800_100000758290 [0,1,0,1,0,0|2,0,0]=4 4477 B11R1.386 CCN(CC)C(=O)C1COC1 527a_100000724800_100000758290 [0,1,0,1,0,0|2,0,0]=4 4478 B11R1.388 CCC(CC)C(=O)CC1CC1 1458a_100000211163_100000742324 [0,1,0,1,0,0|1,0,0]=3 4479 B11R1.388 CCC(CC)C(=O)CC1CC1 1458a_100000738066_100000210505 [0,1,0,1,0,0|1,0,0]=3 4480 B11R1.388 CCC(CC)C(=O)CC1CO1 1458a_100000211163_100011216344 [0,1,0,1,0,0|1,0,0]=3 4481 B11R1.388 CCC(CC)C(=O)CC1CS1 1458a_100000211163_100000031435 [0,1,0,1,0,0|1,0,0]=3 4482 B11R1.388 CCC(CC)C(=O)C[C@@H]1CO1 1458a_100000211163_100000745022 [0,1,0,1,0,0|1,0,0]=3 4483 B11R1.388 CCC(CC)C(=O)NC1CC1 1626a_100000212008_100000211163 [0,1,0,1,0,0|1,0,0]=3 4484 B11R1.388 CCC(CC)C(=O)NC1CC1 240690a_100000212008_100000211163 [0,1,0,1,0,0|1,0,0]=3 4485 B11R1.388 CCC(CC)C(=O)NC1CC1 527a_100000212008_100000211163 [0,1,0,1,0,0|1,0,0]=3 4486 B11R1.388 CCC(OC)C(=O)CC1CC1 1458a_100000747056_100000742324 [0,1,0,1,0,0|2,0,0]=4 4487 B11R1.388 CCC(OC)C(=O)CC1CO1 1458a_100000747056_100011216344 [0,1,0,1,0,0|2,0,0]=4 4488 B11R1.388 CCC(OC)C(=O)CC1CS1 1458a_100000747056_100000031435 [0,1,0,1,0,0|2,0,0]=4 4489 B11R1.388 CCC(OC)C(=O)C[C@@H]1CO1 1458a_100000747056_100000745022 [0,1,0,1,0,0|2,0,0]=4 4490 B11R1.388 CCC(OC)C(=O)NC1CC1 1626a_100000212008_100000747056 [0,1,0,1,0,0|2,0,0]=4 4491 B11R1.388 CCC(OC)C(=O)NC1CC1 240690a_100000212008_100000747056 [0,1,0,1,0,0|2,0,0]=4 4492 B11R1.388 CCC(OC)C(=O)NC1CC1 527a_100000212008_100000747056 [0,1,0,1,0,0|2,0,0]=4 4493 B11R1.388 CCN(CC)C(=O)CC1CC1 11a_100000724800_100000738066 [0,1,0,1,0,0|2,0,0]=4 4494 B11R1.388 CCN(CC)C(=O)CC1CC1 1626a_100000724800_100000738066 [0,1,0,1,0,0|2,0,0]=4 4495 B11R1.388 CCN(CC)C(=O)CC1CC1 240690a_100000724800_100000738066 [0,1,0,1,0,0|2,0,0]=4 4496 B11R1.388 CCN(CC)C(=O)CC1CC1 527a_100000724800_100000738066 [0,1,0,1,0,0|2,0,0]=4 4497 B11R1.388 CCN(CC)C(=O)NC1CC1 2708a_100000212008_100000724800 [0,1,0,1,0,0|2,0,0]=4 4498 B11R1.388 CCN(CC)C(=O)NC1CC1 273464a_100000212008_100000724800 [0,1,0,1,0,0|2,0,0]=4 4499 B11R1.1000 CCCCC(=O)C1(CC1)CO 1458a_100012027107_100000210211 [0,1,0,1,0,0|2,0,0]=4 4500 B11R1.1000 CCCCC(=O)C1(CC1)OC 1458a_100000137688_100000210211 [0,1,0,1,0,0|2,0,0]=4 4501 B11R1.1000 CCCNC(=O)C1(CC1)CO 1626a_100020643023_100012027107 [0,1,0,1,0,0|2,0,0]=4 4502 B11R1.1000 CCCNC(=O)C1(CC1)CO 240690a_100020643023_100012027107 [0,1,0,1,0,0|2,0,0]=4 4503 B11R1.1000 CCCNC(=O)C1(CC1)OC 11a_100020643023_100000137688 [0,1,0,1,0,0|2,0,0]=4 4504 B11R1.1000 CCCNC(=O)C1(CC1)OC 1626a_100020643023_100000137688 [0,1,0,1,0,0|2,0,0]=4 4505 B11R1.1000 CCCNC(=O)C1(CC1)OC 240690a_100020643023_100000137688 [0,1,0,1,0,0|2,0,0]=4 4506 B11R1.1000 CCCNC(=O)C1(CC1)OC 527a_100020643023_100000137688 [0,1,0,1,0,0|2,0,0]=4 4507 B11R1.1000 CCNNC(=O)C1(CC1)CO 22a_100000756455_100012027107 [0,1,0,1,0,0|2,0,0]=4 4508 B11R1.1000 CCNNC(=O)C1(CC1)OC 22a_100000756455_100000137688 [0,1,0,1,0,0|2,0,0]=4 4509 B11R1.1000 CCOCC(=O)C1(CC1)C#N 1458a_100000211967_100009889376 [0,1,0,1,0,0|1,0,1]=4 4510 B11R1.1000 COC1(CC1)C(=O)CCCF 1458a_100000137688_100011934791 [0,1,0,1,0,0|2,0,0]=4 4511 B11R1.1000 COC1(CC1)C(=O)CCCO 1458a_100000137688_100011215043 [0,1,0,1,0,0|2,0,0]=4 4512 B11R1.1000 COC1(CC1)C(=O)CCSC 1458a_100000137688_100000751147 [0,1,0,1,0,0|2,0,0]=4 4513 B11R1.1000 COC1(CC1)C(=O)NCCF 11a_100000724931_100000137688 [0,1,0,1,0,0|2,0,0]=4 4514 B11R1.1000 COC1(CC1)C(=O)NCCF 1626a_100000724931_100000137688 [0,1,0,1,0,0|2,0,0]=4 4515 B11R1.1000 COC1(CC1)C(=O)NCCF 240690a_100000724931_100000137688 [0,1,0,1,0,0|2,0,0]=4 4516 B11R1.1000 COC1(CC1)C(=O)NCCF 527a_100000724931_100000137688 [0,1,0,1,0,0|2,0,0]=4 4517 B11R1.1000 COC1(CC1)C(=O)NCCO 240690a_100000210304_100000137688 [0,1,0,1,0,0|2,0,0]=4 4518 B11R1.1000 COC1(CC1)C(=O)NCCO 527a_100000210304_100000137688 [0,1,0,1,0,0|2,0,0]=4 4519 B11R1.1000 COCCC(=O)C1(CC1)CO 1458a_100012027107_100000233755 [0,1,0,1,0,0|2,0,0]=4 4520 B11R1.1000 COCCC(=O)C1(CC1)OC 1458a_100000137688_100000233755 [0,1,0,1,0,0|2,0,0]=4 4521 B11R1.1000 CSCCC(=O)C1(CC1)CO 1458a_100012027107_100000751147 [0,1,0,1,0,0|2,0,0]=4 4522 B11R1.1000 O=C(CCCF)C1(CC1)CO 1458a_100012027107_100011934791 [0,1,0,1,0,0|2,0,0]=4 4523 B11R1.1000 O=C(CCCO)C1(CC1)CO 1458a_100012027107_100011215043 [0,1,0,1,0,0|2,0,0]=4 4524 B11R1.1000 O=C(NCCF)C1(CC1)CO 1626a_100000724931_100012027107 [0,1,0,1,0,0|2,0,0]=4 4525 B11R1.1000 O=C(NCCF)C1(CC1)CO 240690a_100000724931_100012027107 [0,1,0,1,0,0|2,0,0]=4 4526 B11R1.1000 O=C(NCCO)C1(CC1)CO 240690a_100000210304_100012027107 [0,1,0,1,0,0|2,0,0]=4 4527 B11R1.1463 CCC(CC)C(=O)C1CC1C 1458a_100000211227_100000210505 [0,1,0,1,0,0|1,0,0]=3 4528 B11R1.1463 CCC(CC)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210505 [0,1,0,1,0,0|1,0,0]=3 4529 B11R1.1463 CCN(CC)C(=O)C1CC1C 11a_100000724800_100000211227 [0,1,0,1,0,0|2,0,0]=4 4530 B11R1.1463 CCN(CC)C(=O)C1CC1C 1626a_100000724800_100000211227 [0,1,0,1,0,0|2,0,0]=4 4531 B11R1.1463 CCN(CC)C(=O)C1CC1C 527a_100000724800_100000211227 [0,1,0,1,0,0|2,0,0]=4 4532 B11R1.1463 CCN(CC)C(=O)[C@@H]1C[C@@H]1F 11a_100000724800_100015396687 [0,1,0,1,0,0|2,0,0]=4 4533 B11R1.1463 CCN(CC)C(=O)[C@@H]1C[C@@H]1F 240690a_100000724800_100015396687 [0,1,0,1,0,0|2,0,0]=4 4534 B11R1.1463 CCN(CC)C(=O)[C@@H]1C[C@@H]1F 527a_100000724800_100015396687 [0,1,0,1,0,0|2,0,0]=4 4535 B11R1.5 CCNC1CCCCNC1=O 2230a_100000698827_100000210202 [0,1,0,1,0,0|1,0,0]=3 4536 B11R1.5 CCNC1CCCCNC1=O 2230a_100015525214_100000735217 [0,1,0,1,0,0|1,0,0]=3 4537 B11R1.5 CCNC1CCCCNC1=O 34a_100000698827_100000210202 [0,1,0,1,0,0|1,0,0]=3 4538 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [0,1,0,1,0,0|1,0,0]=3 4539 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [0,1,0,1,0,0|1,0,0]=3 4540 B11R1.5 CCSC1CCCCNC1=O 62a_100000210202_100000735217 [0,1,0,1,0,0|1,0,0]=3 4541 B11R1.5 CCSC1CCCCNC1=O 62a_100000735217_100000210202 [0,1,0,1,0,0|1,0,0]=3 4542 B11R1.5 O=C1CCCCCC1SCF 62a_100000243696_100015361967 [0,1,0,1,0,0|2,0,0]=4 4543 B11R1.5 O=C1CCCCCC1SCF 62a_100015361967_100000243696 [0,1,0,1,0,0|2,0,0]=4 4544 B11R1.5 O=C1NCCCCC1NCF 34a_100000698827_100015361967 [0,1,0,1,0,0|2,0,0]=4 4545 B11R1.5 O=C1NCCCCC1SCF 62a_100000735217_100015361967 [0,1,0,1,0,0|2,0,0]=4 4546 B11R1.5 O=C1NCCCCC1SCF 62a_100015361967_100000735217 [0,1,0,1,0,0|2,0,0]=4 4547 B11R1.15 CCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210303 [0,1,0,1,0,0|1,0,0]=3 4548 B11R1.15 CCCC(=O)C1CCN(C1)C 1458a_100000739633_100000210303 [0,1,0,1,0,0|1,0,0]=3 4549 B11R1.15 CCCC(=O)N1CCC(C1)O 240690a_100011215560_100000211992 [0,1,0,1,0,0|2,0,0]=4 4550 B11R1.15 CCCC(=O)N1CCC(C1)O 527a_100011215560_100000211992 [0,1,0,1,0,0|2,0,0]=4 4551 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 4552 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 4553 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 4554 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 4555 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000211992 [0,1,0,1,0,0|2,0,0]=4 4556 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000211992 [0,1,0,1,0,0|2,0,0]=4 4557 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000211992 [0,1,0,1,0,0|2,0,0]=4 4558 B11R1.15 CCNC(=O)C1CCC(C1)O 240690a_100015525214_100000688591 [0,1,0,1,0,0|1,0,0]=3 4559 B11R1.15 CCNC(=O)C1CCN(C1)C 240690a_100015525214_100000739633 [0,1,0,1,0,0|1,0,0]=3 4560 B11R1.15 CCNC(=O)C1CCN(C1)C 527a_100015525214_100000739633 [0,1,0,1,0,0|1,0,0]=3 4561 B11R1.15 CCNC(=O)N1CCC(C1)O 2708a_100015525214_100011215560 [0,1,0,1,0,0|2,0,0]=4 4562 B11R1.15 CCNC(=O)N1CCC(C1)O 273464a_100015525214_100011215560 [0,1,0,1,0,0|2,0,0]=4 4563 B11R1.15 CCNC(=O)N1CC[C@@H](C1)F 2708a_100015525214_100015203821 [0,1,0,1,0,0|2,0,0]=4 4564 B11R1.15 CCNC(=O)N1CC[C@@H](C1)F 273464a_100015525214_100015203821 [0,1,0,1,0,0|2,0,0]=4 4565 B11R1.15 CCNC(=O)N1CC[C@H](C1)C 2708a_100015525214_100016987628 [0,1,0,1,0,0|2,0,0]=4 4566 B11R1.15 CCNC(=O)N1CC[C@H](C1)C 273464a_100015525214_100016987628 [0,1,0,1,0,0|2,0,0]=4 4567 B11R1.15 CCOC(=O)C1CCN(C1)C 2230a_100016987290_200000210301 [0,1,0,1,0,0|0,0,0]=2 4568 B11R1.15 CCOC(=O)C1CCN(C1)C 269982a_100016987290_200000210301 [0,1,0,1,0,0|0,0,0]=2 4569 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 2230a_100016987290_200025704644 [0,1,0,1,0,0|0,0,0]=2 4570 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 269982a_100016987290_200025704644 [0,1,0,1,0,0|0,0,0]=2 4571 B11R1.15 CN1CCC(C1)C(=O)CCF 1458a_100000739633_100011217306 [0,1,0,1,0,0|2,0,0]=4 4572 B11R1.15 CN1CCC(C1)C(=O)CCO 1458a_100000739633_100000211926 [0,1,0,1,0,0|2,0,0]=4 4573 B11R1.15 CNNC(=O)C1CCC(C1)O 22a_100016993582_100000688591 [0,1,0,1,0,0|2,0,0]=4 4574 B11R1.15 CNNC(=O)C1CCN(C1)C 22a_100016993582_100000739633 [0,1,0,1,0,0|2,0,0]=4 4575 B11R1.15 O=C(CCF)C1CCC(C1)O 1458a_100000688591_100011217306 [0,1,0,1,0,0|2,0,0]=4 4576 B11R1.15 O=C(CCO)C1CCC(C1)O 1458a_100000688591_100000211926 [0,1,0,1,0,0|2,0,0]=4 4577 B11R1.16 CC#CC(=O)C1CCCCC1 1458a_100000763181_100000210327 [0,1,0,1,0,0|1,0,1]=4 4578 B11R1.16 CC#CC(=O)C1CCCOC1 1458a_100000763181_100000693364 [0,1,0,1,0,0|1,0,1]=4 4579 B11R1.16 CC#CC(=O)C1CCOCC1 1458a_100000763181_100011324220 [0,1,0,1,0,0|1,0,1]=4 4580 B11R1.16 CC=CC(=O)C1CCCCC1 1458a_100000210699_100000210327 [0,1,0,1,0,0|1,0,1]=4 4581 B11R1.16 CC=CC(=O)C1CCCOC1 1458a_100000210699_100000693364 [0,1,0,1,0,0|1,0,1]=4 4582 B11R1.16 CC=CC(=O)C1CCOCC1 1458a_100000210699_100011324220 [0,1,0,1,0,0|1,0,1]=4 4583 B11R1.16 CCCC(=O)C1=CCCCC1 1458a_100000765259_100000210303 [0,1,0,1,0,0|1,0,1]=4 4584 B11R1.16 CCCC(=O)C1C=CCCC1 1458a_100000211992_100000751183 [0,1,0,1,0,0|1,0,1]=4 4585 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [0,1,0,1,0,0|1,0,0]=3 4586 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [0,1,0,1,0,0|1,0,0]=3 4587 B11R1.16 CCCC(=O)C1CCCCO1 1458a_100000748299_100000210303 [0,1,0,1,0,0|1,0,0]=3 4588 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000211992_100000693364 [0,1,0,1,0,0|1,0,0]=3 4589 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000741522_100000210303 [0,1,0,1,0,0|1,0,0]=3 4590 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000195482_100000210303 [0,1,0,1,0,0|1,0,0]=3 4591 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000211992_100011324220 [0,1,0,1,0,0|1,0,0]=3 4592 B11R1.16 CCCC(=O)C1CCSCC1 1458a_100000755232_100000210303 [0,1,0,1,0,0|1,0,0]=3 4593 B11R1.16 CCCC(=O)C1COCCO1 1458a_100000045528_100000210303 [0,1,0,1,0,0|2,0,0]=4 4594 B11R1.16 CCCC(=O)C1SCCCS1 1458a_100000028545_100000210303 [0,1,0,1,0,0|2,0,0]=4 4595 B11R1.16 CCCC(=O)N1CCCOC1 11a_100000131196_100000211992 [0,1,0,1,0,0|2,0,0]=4 4596 B11R1.16 CCCC(=O)N1CCCOC1 240690a_100000131196_100000211992 [0,1,0,1,0,0|2,0,0]=4 4597 B11R1.16 CCCC(=O)N1CCOCC1 11a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 4598 B11R1.16 CCCC(=O)N1CCOCC1 1626a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 4599 B11R1.16 CCCC(=O)N1CCOCC1 240690a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 4600 B11R1.16 CCCC(=O)N1CCOCC1 527a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 4601 B11R1.16 CCCC(=O)N1CCSCC1 11a_100000737611_100000211992 [0,1,0,1,0,0|2,0,0]=4 4602 B11R1.16 CCCC(=O)N1CCSCC1 240690a_100000737611_100000211992 [0,1,0,1,0,0|2,0,0]=4 4603 B11R1.16 CCCC(=O)N1CCSCC1 527a_100000737611_100000211992 [0,1,0,1,0,0|2,0,0]=4 4604 B11R1.16 CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210303 [0,1,0,1,0,0|1,0,1]=4 4605 B11R1.16 CCNC(=O)C1=CCCCC1 11a_100015525214_100000765259 [0,1,0,1,0,0|1,0,1]=4 4606 B11R1.16 CCNC(=O)C1=CCCCC1 240690a_100015525214_100000765259 [0,1,0,1,0,0|1,0,1]=4 4607 B11R1.16 CCNC(=O)C1=CCCCC1 527a_100015525214_100000765259 [0,1,0,1,0,0|1,0,1]=4 4608 B11R1.16 CCNC(=O)C1CCCCC1 11a_100015525214_100000210647 [0,1,0,1,0,0|1,0,0]=3 4609 B11R1.16 CCNC(=O)C1CCCCC1 240690a_100015525214_100000210647 [0,1,0,1,0,0|1,0,0]=3 4610 B11R1.16 CCNC(=O)C1CCCCC1 527a_100015525214_100000210647 [0,1,0,1,0,0|1,0,0]=3 4611 B11R1.16 CCNC(=O)C1CCCCO1 11a_100015525214_100000748299 [0,1,0,1,0,0|1,0,0]=3 4612 B11R1.16 CCNC(=O)C1CCCCO1 240690a_100015525214_100000748299 [0,1,0,1,0,0|1,0,0]=3 4613 B11R1.16 CCNC(=O)C1CCCCO1 527a_100015525214_100000748299 [0,1,0,1,0,0|1,0,0]=3 4614 B11R1.16 CCNC(=O)C1CCCOC1 11a_100015525214_100000741522 [0,1,0,1,0,0|1,0,0]=3 4615 B11R1.16 CCNC(=O)C1CCCOC1 240690a_100015525214_100000741522 [0,1,0,1,0,0|1,0,0]=3 4616 B11R1.16 CCNC(=O)C1CCCOC1 527a_100015525214_100000741522 [0,1,0,1,0,0|1,0,0]=3 4617 B11R1.16 CCNC(=O)C1CCOCC1 11a_100015525214_100000195482 [0,1,0,1,0,0|1,0,0]=3 4618 B11R1.16 CCNC(=O)C1CCOCC1 240690a_100015525214_100000195482 [0,1,0,1,0,0|1,0,0]=3 4619 B11R1.16 CCNC(=O)C1CCOCC1 527a_100015525214_100000195482 [0,1,0,1,0,0|1,0,0]=3 4620 B11R1.16 CCNC(=O)C1CCSCC1 11a_100015525214_100000755232 [0,1,0,1,0,0|1,0,0]=3 4621 B11R1.16 CCNC(=O)C1CCSCC1 240690a_100015525214_100000755232 [0,1,0,1,0,0|1,0,0]=3 4622 B11R1.16 CCNC(=O)C1CCSCC1 527a_100015525214_100000755232 [0,1,0,1,0,0|1,0,0]=3 4623 B11R1.16 CCNC(=O)C1COCCO1 11a_100015525214_100000045528 [0,1,0,1,0,0|2,0,0]=4 4624 B11R1.16 CCNC(=O)C1COCCO1 240690a_100015525214_100000045528 [0,1,0,1,0,0|2,0,0]=4 4625 B11R1.16 CCNC(=O)C1COCCO1 527a_100015525214_100000045528 [0,1,0,1,0,0|2,0,0]=4 4626 B11R1.16 CCNC(=O)C1SCCCS1 11a_100015525214_100000028545 [0,1,0,1,0,0|2,0,0]=4 4627 B11R1.16 CCNC(=O)C1SCCCS1 240690a_100015525214_100000028545 [0,1,0,1,0,0|2,0,0]=4 4628 B11R1.16 CCNC(=O)C1SCCCS1 527a_100015525214_100000028545 [0,1,0,1,0,0|2,0,0]=4 4629 B11R1.16 CCNC(=O)N1CCCOC1 2708a_100015525214_100000131196 [0,1,0,1,0,0|2,0,0]=4 4630 B11R1.16 CCNC(=O)N1CCCOC1 273464a_100015525214_100000131196 [0,1,0,1,0,0|2,0,0]=4 4631 B11R1.16 CCNC(=O)N1CCOCC1 2708a_100015525214_100015191051 [0,1,0,1,0,0|2,0,0]=4 4632 B11R1.16 CCNC(=O)N1CCOCC1 273464a_100015525214_100015191051 [0,1,0,1,0,0|2,0,0]=4 4633 B11R1.16 CCNC(=O)N1CCSCC1 2708a_100015525214_100000737611 [0,1,0,1,0,0|2,0,0]=4 4634 B11R1.16 CCNC(=O)N1CCSCC1 273464a_100015525214_100000737611 [0,1,0,1,0,0|2,0,0]=4 4635 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 11a_100015525214_100009820709 [0,1,0,1,0,0|1,0,1]=4 4636 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 240690a_100015525214_100009820709 [0,1,0,1,0,0|1,0,1]=4 4637 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 527a_100015525214_100009820709 [0,1,0,1,0,0|1,0,1]=4 4638 B11R1.16 CCOC(C)C1CCCCC1 34a_100011216961_100000210202 [0,1,0,1,0,0|1,0,1]=4 4639 B11R1.16 CCOC(C)C1CCCCC1 7a_100011216961_100000210202 [0,1,0,1,0,0|1,0,1]=4 4640 B11R1.16 CCOC(C)C1CCCNC1 34a_100000740858_100000210202 [0,1,0,1,0,0|1,0,1]=4 4641 B11R1.16 CCOC(C)C1CCNCC1 34a_100011728446_100000210202 [0,1,0,1,0,0|1,0,1]=4 4642 B11R1.16 CCO[C@H](C)C1CCOCC1 34a_100000703848_100000210202 [0,1,0,1,0,0|1,0,1]=4 4643 B11R1.16 CCO[C@H](C)C1CCOCC1 7a_100000703848_100000210202 [0,1,0,1,0,0|1,0,1]=4 4644 B11R1.16 CNCC(=O)C1CCCCC1 2230a_106832991635_100000241979 [0,1,0,1,0,0|2,0,0]=4 4645 B11R1.16 CNCC(=O)C1CCCCC1 34a_100102657272_100000241979 [0,1,0,1,0,0|2,0,0]=4 4646 B11R1.16 CNCC(=O)C1CCCCC1 7a_106832991635_100000241979 [0,1,0,1,0,0|2,0,0]=4 4647 B11R1.16 CNCC(=O)C1CCOCC1 2230a_106832991635_100000689883 [0,1,0,1,0,0|2,0,0]=4 4648 B11R1.16 CNCC(=O)C1CCOCC1 34a_100102657272_100000689883 [0,1,0,1,0,0|2,0,0]=4 4649 B11R1.16 CNCC(=O)C1CCOCC1 7a_106832991635_100000689883 [0,1,0,1,0,0|2,0,0]=4 4650 B11R1.16 CNNC(=O)C1CCCCC1 22a_100016993582_100000210647 [0,1,0,1,0,0|2,0,0]=4 4651 B11R1.16 CNNC(=O)C1CCCCO1 22a_100016993582_100000748299 [0,1,0,1,0,0|2,0,0]=4 4652 B11R1.16 CNNC(=O)C1CCCOC1 22a_100016993582_100000741522 [0,1,0,1,0,0|2,0,0]=4 4653 B11R1.16 CNNC(=O)C1CCOCC1 22a_100016993582_100000195482 [0,1,0,1,0,0|2,0,0]=4 4654 B11R1.16 CNNC(=O)C1CCSCC1 22a_100016993582_100000755232 [0,1,0,1,0,0|2,0,0]=4 4655 B11R1.16 COCC(=O)C1CCCCC1 1458a_100000210968_100000210327 [0,1,0,1,0,0|2,0,0]=4 4656 B11R1.16 COCC(=O)C1CCCCC1 34a_100138415774_100000241979 [0,1,0,1,0,0|2,0,0]=4 4657 B11R1.16 COCC(=O)C1CCCOC1 1458a_100000210968_100000693364 [0,1,0,1,0,0|2,0,0]=4 4658 B11R1.16 COCC(=O)C1CCOCC1 1458a_100000210968_100011324220 [0,1,0,1,0,0|2,0,0]=4 4659 B11R1.16 COCC(=O)C1CCOCC1 34a_100138415774_100000689883 [0,1,0,1,0,0|2,0,0]=4 4660 B11R1.16 CSCC(=O)C1CCCCC1 1458a_100000184570_100000210327 [0,1,0,1,0,0|2,0,0]=4 4661 B11R1.16 CSCC(=O)C1CCCCC1 62a_100000241979_200000210301 [0,1,0,1,0,0|2,0,0]=4 4662 B11R1.16 CSCC(=O)C1CCCCC1 62a_200000210301_100000241979 [0,1,0,1,0,0|2,0,0]=4 4663 B11R1.16 CSCC(=O)C1CCCOC1 1458a_100000184570_100000693364 [0,1,0,1,0,0|2,0,0]=4 4664 B11R1.16 CSCC(=O)C1CCOCC1 1458a_100000184570_100011324220 [0,1,0,1,0,0|2,0,0]=4 4665 B11R1.16 CSCC(=O)C1CCOCC1 62a_100000689883_200000210301 [0,1,0,1,0,0|2,0,0]=4 4666 B11R1.16 CSCC(=O)C1CCOCC1 62a_200000210301_100000689883 [0,1,0,1,0,0|2,0,0]=4 4667 B11R1.16 O=C(CCF)C1CCCCC1 1458a_100000210647_100011217306 [0,1,0,1,0,0|2,0,0]=4 4668 B11R1.16 O=C(CCF)C1CCCCO1 1458a_100000748299_100011217306 [0,1,0,1,0,0|2,0,0]=4 4669 B11R1.16 O=C(CCF)C1CCCOC1 1458a_100000741522_100011217306 [0,1,0,1,0,0|2,0,0]=4 4670 B11R1.16 O=C(CCF)C1CCOCC1 1458a_100000195482_100011217306 [0,1,0,1,0,0|2,0,0]=4 4671 B11R1.16 O=C(CCF)C1CCSCC1 1458a_100000755232_100011217306 [0,1,0,1,0,0|2,0,0]=4 4672 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100000210647_100000211926 [0,1,0,1,0,0|2,0,0]=4 4673 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100011216618_100000210327 [0,1,0,1,0,0|2,0,0]=4 4674 B11R1.16 O=C(CCO)C1CCCCO1 1458a_100000748299_100000211926 [0,1,0,1,0,0|2,0,0]=4 4675 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100000741522_100000211926 [0,1,0,1,0,0|2,0,0]=4 4676 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100011216618_100000693364 [0,1,0,1,0,0|2,0,0]=4 4677 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100000195482_100000211926 [0,1,0,1,0,0|2,0,0]=4 4678 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100011216618_100011324220 [0,1,0,1,0,0|2,0,0]=4 4679 B11R1.16 O=C(CCO)C1CCSCC1 1458a_100000755232_100000211926 [0,1,0,1,0,0|2,0,0]=4 4680 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_100000241979_200025704644 [0,1,0,1,0,0|2,0,0]=4 4681 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_200025704644_100000241979 [0,1,0,1,0,0|2,0,0]=4 4682 B11R1.16 [13CH3]SCC(=O)C1CCOCC1 62a_100000689883_200025704644 [0,1,0,1,0,0|2,0,0]=4 4683 B11R1.16 [13CH3]SCC(=O)C1CCOCC1 62a_200025704644_100000689883 [0,1,0,1,0,0|2,0,0]=4 4684 B11R1.199 CC1CCCC1C(=O)CCF 1458a_100000690547_100011217306 [0,1,0,1,0,0|2,0,0]=4 4685 B11R1.199 CC1CCCC1C(=O)CCO 1458a_100000690547_100000211926 [0,1,0,1,0,0|2,0,0]=4 4686 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [0,1,0,1,0,0|1,0,1]=4 4687 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [0,1,0,1,0,0|1,0,0]=3 4688 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211992 [0,1,0,1,0,0|2,0,0]=4 4689 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211992 [0,1,0,1,0,0|2,0,0]=4 4690 B11R1.199 CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211992 [0,1,0,1,0,0|2,0,0]=4 4691 B11R1.199 CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211992 [0,1,0,1,0,0|2,0,0]=4 4692 B11R1.199 CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211992 [0,1,0,1,0,0|2,0,0]=4 4693 B11R1.199 CCCC(=O)N1CCSC1C 11a_200011216479_100000211992 [0,1,0,1,0,0|2,0,0]=4 4694 B11R1.199 CCCC(=O)N1CCSC1C 1626a_200011216479_100000211992 [0,1,0,1,0,0|2,0,0]=4 4695 B11R1.199 CCCC(=O)N1CCSC1C 240690a_200011216479_100000211992 [0,1,0,1,0,0|2,0,0]=4 4696 B11R1.199 CCCC(=O)N1CCSC1C 527a_200011216479_100000211992 [0,1,0,1,0,0|2,0,0]=4 4697 B11R1.199 CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210303 [0,1,0,1,0,0|2,0,0]=4 4698 B11R1.199 CCNC(=O)C1CCCC1C 11a_100015525214_100000690547 [0,1,0,1,0,0|1,0,0]=3 4699 B11R1.199 CCNC(=O)C1CCCC1C 240690a_100015525214_100000690547 [0,1,0,1,0,0|1,0,0]=3 4700 B11R1.199 CCNC(=O)C1CCCC1C 527a_100015525214_100000690547 [0,1,0,1,0,0|1,0,0]=3 4701 B11R1.199 CCNC(=O)C1CSCN1C 240690a_100015525214_100020666735 [0,1,0,1,0,0|2,0,0]=4 4702 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 2708a_100015525214_100020605311 [0,1,0,1,0,0|2,0,0]=4 4703 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 273464a_100015525214_100020605311 [0,1,0,1,0,0|2,0,0]=4 4704 B11R1.199 CCNC(=O)N1CCC[C@H]1C 2708a_100015525214_100015189458 [0,1,0,1,0,0|2,0,0]=4 4705 B11R1.199 CCNC(=O)N1CCC[C@H]1C 273464a_100015525214_100015189458 [0,1,0,1,0,0|2,0,0]=4 4706 B11R1.199 CCNC(=O)N1CCSC1C 2708a_100015525214_200011216479 [0,1,0,1,0,0|2,0,0]=4 4707 B11R1.199 CCNC(=O)N1CCSC1C 273464a_100015525214_200011216479 [0,1,0,1,0,0|2,0,0]=4 4708 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 11a_100015525214_100009816429 [0,1,0,1,0,0|2,0,0]=4 4709 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 2230a_100020641767_200000210301 [0,1,0,1,0,0|2,0,0]=4 4710 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 240690a_100015525214_100009816429 [0,1,0,1,0,0|2,0,0]=4 4711 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 269982a_100020641767_200000210301 [0,1,0,1,0,0|2,0,0]=4 4712 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 34a_100020641767_200000210301 [0,1,0,1,0,0|2,0,0]=4 4713 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 527a_100015525214_100009816429 [0,1,0,1,0,0|2,0,0]=4 4714 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100020641767_200025704644 [0,1,0,1,0,0|2,0,0]=4 4715 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100020641767_200025704644 [0,1,0,1,0,0|2,0,0]=4 4716 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 34a_100020641767_200025704644 [0,1,0,1,0,0|2,0,0]=4 4717 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 2230a_100000703725_200000210301 [0,1,0,1,0,0|1,0,0]=3 4718 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 269982a_100000703725_200000210301 [0,1,0,1,0,0|1,0,0]=3 4719 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000703725_200025704644 [0,1,0,1,0,0|1,0,0]=3 4720 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000703725_200025704644 [0,1,0,1,0,0|1,0,0]=3 4721 B11R1.199 CCOC(=O)[C@@H]1CSCN1C 269982a_100016989239_200000210301 [0,1,0,1,0,0|1,0,0]=3 4722 B11R1.199 CCOC(=O)[C@@H]1CSCN1[13CH3] 269982a_100016989239_200025704644 [0,1,0,1,0,0|1,0,0]=3 4723 B11R1.199 CNNC(=O)C1CCCC1C 22a_100016993582_100000690547 [0,1,0,1,0,0|2,0,0]=4 4724 B11R1.605 CCCC1C(=O)NCCN1C 2230a_200000695202_200000210301 [0,1,0,1,0,0|2,0,0]=4 4725 B11R1.605 CCCC1C(=O)NCCN1C 269982a_200000695202_200000210301 [0,1,0,1,0,0|2,0,0]=4 4726 B11R1.605 CCCC1C(=O)NCCN1C 34a_200000695202_200000210301 [0,1,0,1,0,0|2,0,0]=4 4727 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 2230a_200000695202_200025704644 [0,1,0,1,0,0|2,0,0]=4 4728 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 269982a_200000695202_200025704644 [0,1,0,1,0,0|2,0,0]=4 4729 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 34a_200000695202_200025704644 [0,1,0,1,0,0|2,0,0]=4 4730 B11R1.605 CN1CCNC(=O)C1CCO 2230a_100000044719_200000210301 [0,1,0,1,0,0|2,0,0]=4 4731 B11R1.605 CN1CCNC(=O)C1CCO 34a_100000044719_200000210301 [0,1,0,1,0,0|2,0,0]=4 4732 B11R1.605 CNCC1C(=CCCC1C)C 270004a_106832991635_100000066159 [0,1,0,1,0,0|2,0,0]=4 4733 B11R1.605 [13CH3]N1CCNC(=O)C1CCO 2230a_100000044719_200025704644 [0,1,0,1,0,0|2,0,0]=4 4734 B11R1.605 [13CH3]N1CCNC(=O)C1CCO 34a_100000044719_200025704644 [0,1,0,1,0,0|2,0,0]=4 4735 B11R1.763 CCCC(CC)C(=O)C1CC1 1458a_100000210395_100011219200 [0,1,0,1,0,0|1,0,0]=3 4736 B11R1.763 CCCC(CC)C(=O)C1CO1 1458a_100000701028_100011219200 [0,1,0,1,0,0|2,0,0]=4 4737 B11R1.763 CCCN(CC)C(=O)C1CC1 11a_100000226822_100000210395 [0,1,0,1,0,0|2,0,0]=4 4738 B11R1.763 CCCN(CC)C(=O)C1CC1 1626a_100000226822_100000210395 [0,1,0,1,0,0|2,0,0]=4 4739 B11R1.763 CCCN(CC)C(=O)C1CC1 240690a_100000226822_100000210395 [0,1,0,1,0,0|2,0,0]=4 4740 B11R1.763 CCCN(CC)C(=O)C1CC1 527a_100000226822_100000210395 [0,1,0,1,0,0|2,0,0]=4 4741 B11R1.763 CCN(CCO)C(=O)C1CC1 240690a_100000210973_100000210395 [0,1,0,1,0,0|2,0,0]=4 4742 B11R1.763 CCN(CCO)C(=O)C1CC1 527a_100000210973_100000210395 [0,1,0,1,0,0|2,0,0]=4 4743 B11R1.820 CCCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000211992 [0,1,0,1,0,0|2,0,0]=4 4744 B11R1.820 CCCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000211992 [0,1,0,1,0,0|2,0,0]=4 4745 B11R1.820 CCCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000211992 [0,1,0,1,0,0|2,0,0]=4 4746 B11R1.820 CCNC(=O)N1C[C@@H]([C@@H]1C)O 2708a_100015525214_206633788156 [0,1,0,1,0,0|2,0,0]=4 4747 B11R1.820 CCNC(=O)N1C[C@@H]([C@@H]1C)O 273464a_100015525214_206633788156 [0,1,0,1,0,0|2,0,0]=4 4748 B11R1.823 CCCC(=O)N(CC)C1CC1 11a_100000738653_100000211992 [0,1,0,1,0,0|2,0,0]=4 4749 B11R1.823 CCCC(=O)N(CC)C1CC1 1626a_100000738653_100000211992 [0,1,0,1,0,0|2,0,0]=4 4750 B11R1.823 CCCC(=O)N(CC)C1CC1 240690a_100000738653_100000211992 [0,1,0,1,0,0|2,0,0]=4 4751 B11R1.823 CCCC(=O)N(CC)C1CC1 527a_100000738653_100000211992 [0,1,0,1,0,0|2,0,0]=4 4752 B11R1.823 CCNC(=O)N(CC)C1CC1 2708a_100015525214_100000738653 [0,1,0,1,0,0|2,0,0]=4 4753 B11R1.823 CCNC(=O)N(CC)C1CC1 273464a_100015525214_100000738653 [0,1,0,1,0,0|2,0,0]=4 4754 B11R1.823 CCOC(=O)C(NC)C1CC1 2230a_106832991635_100010073418 [0,1,0,1,0,0|1,0,0]=3 4755 B11R1.823 CCOC(=O)C(NC)C1CC1 34a_100102657272_100010073418 [0,1,0,1,0,0|1,0,0]=3 4756 B11R1.823 CCOC(=O)C(NC)C1CC1 7a_106832991635_100010073418 [0,1,0,1,0,0|1,0,0]=3 4757 B11R1.823 CCOC(=O)C(OC)C1CC1 34a_100138415774_100010073418 [0,1,0,1,0,0|1,0,0]=3 4758 B11R1.823 CCOC(=O)C(SC)C1CC1 62a_100010073418_200000210301 [0,1,0,1,0,0|1,0,0]=3 4759 B11R1.823 CCOC(=O)C(SC)C1CC1 62a_200000210301_100010073418 [0,1,0,1,0,0|1,0,0]=3 4760 B11R1.823 CCOC(=O)C(S[13CH3])C1CC1 62a_100010073418_200025704644 [0,1,0,1,0,0|1,0,0]=3 4761 B11R1.823 CCOC(=O)C(S[13CH3])C1CC1 62a_200025704644_100010073418 [0,1,0,1,0,0|1,0,0]=3 4762 B11R1.831 CCC1(CCC1)C(=O)CCF 1458a_100000685558_100011217306 [0,1,0,1,0,0|2,0,0]=4 4763 B11R1.831 CCC1(CCC1)C(=O)CCO 1458a_100000685558_100000211926 [0,1,0,1,0,0|2,0,0]=4 4764 B11R1.831 CCC1(CCC1)C(=O)NNC 22a_100016993582_100000685558 [0,1,0,1,0,0|2,0,0]=4 4765 B11R1.831 CCC1(COC1)C(=O)CCF 1458a_100000139254_100011217306 [0,1,0,1,0,0|2,0,0]=4 4766 B11R1.831 CCC1(COC1)C(=O)CCO 1458a_100000139254_100000211926 [0,1,0,1,0,0|2,0,0]=4 4767 B11R1.831 CCC1(COC1)C(=O)NNC 22a_100016993582_100000139254 [0,1,0,1,0,0|2,0,0]=4 4768 B11R1.831 CCCC(=O)C1(CCC1)CC 1458a_100000685558_100000210303 [0,1,0,1,0,0|1,0,0]=3 4769 B11R1.831 CCCC(=O)C1(COC1)CC 1458a_100000139254_100000210303 [0,1,0,1,0,0|1,0,0]=3 4770 B11R1.831 CCNC(=O)C1(CCC1)CC 11a_100015525214_100000685558 [0,1,0,1,0,0|1,0,0]=3 4771 B11R1.831 CCNC(=O)C1(CCC1)CC 240690a_100015525214_100000685558 [0,1,0,1,0,0|1,0,0]=3 4772 B11R1.831 CCNC(=O)C1(CCC1)CC 527a_100015525214_100000685558 [0,1,0,1,0,0|1,0,0]=3 4773 B11R1.831 CCNC(=O)C1(COC1)CC 11a_100015525214_100000139254 [0,1,0,1,0,0|1,0,0]=3 4774 B11R1.831 CCNC(=O)C1(COC1)CC 240690a_100015525214_100000139254 [0,1,0,1,0,0|1,0,0]=3 4775 B11R1.831 CCNC(=O)C1(COC1)CC 527a_100015525214_100000139254 [0,1,0,1,0,0|1,0,0]=3 4776 B11R1.831 CCOC(=O)C1(CCC1)NC 34a_100102657272_100009814009 [0,1,0,1,0,0|1,0,0]=3 4777 B11R1.831 CCOC(=O)C1(CCC1)NC 7a_106832991635_100009814009 [0,1,0,1,0,0|1,0,0]=3 4778 B11R1.831 CCOC(=O)C1(CCC1)OC 34a_100138415774_100009814009 [0,1,0,1,0,0|1,0,0]=3 4779 B11R1.831 CCOC(=O)C1(CCC1)SC 62a_100009814009_200000210301 [0,1,0,1,0,0|1,0,0]=3 4780 B11R1.831 CCOC(=O)C1(CCC1)SC 62a_200000210301_100009814009 [0,1,0,1,0,0|1,0,0]=3 4781 B11R1.831 CCOC(=O)C1(CCC1)S[13CH3] 62a_100009814009_200025704644 [0,1,0,1,0,0|1,0,0]=3 4782 B11R1.831 CCOC(=O)C1(CCC1)S[13CH3] 62a_200025704644_100009814009 [0,1,0,1,0,0|1,0,0]=3 4783 B11R1.838 CCCC(=O)C1(CC1)OCC 1458a_100011094191_100000210303 [0,1,0,1,0,0|1,0,0]=3 4784 B11R1.838 CCNC(=O)C1(CC1)OCC 11a_100015525214_100011094191 [0,1,0,1,0,0|1,0,0]=3 4785 B11R1.838 CCNC(=O)C1(CC1)OCC 240690a_100015525214_100011094191 [0,1,0,1,0,0|1,0,0]=3 4786 B11R1.838 CCNC(=O)C1(CC1)OCC 527a_100015525214_100011094191 [0,1,0,1,0,0|1,0,0]=3 4787 B11R1.838 CCOC(=O)C1(CC1)CNC 2230a_106832991635_100010983122 [0,1,0,1,0,0|0,0,0]=2 4788 B11R1.838 CCOC(=O)C1(CC1)CNC 34a_100102657272_100010983122 [0,1,0,1,0,0|0,0,0]=2 4789 B11R1.838 CCOC(=O)C1(CC1)CNC 7a_106832991635_100010983122 [0,1,0,1,0,0|0,0,0]=2 4790 B11R1.838 CCOC(=O)C1(CC1)COC 34a_100138415774_100010983122 [0,1,0,1,0,0|0,0,0]=2 4791 B11R1.838 CCOC(=O)C1(CC1)COC 7a_100000093544_200000210301 [0,1,0,1,0,0|0,0,0]=2 4792 B11R1.838 CCOC(=O)C1(CC1)CO[13CH3] 7a_100000093544_200025704644 [0,1,0,1,0,0|0,0,0]=2 4793 B11R1.838 CCOC(=O)C1(CC1)CSC 62a_100010983122_200000210301 [0,1,0,1,0,0|0,0,0]=2 4794 B11R1.838 CCOC(=O)C1(CC1)CSC 62a_200000210301_100010983122 [0,1,0,1,0,0|0,0,0]=2 4795 B11R1.838 CCOC(=O)C1(CC1)CS[13CH3] 62a_100010983122_200025704644 [0,1,0,1,0,0|0,0,0]=2 4796 B11R1.838 CCOC(=O)C1(CC1)CS[13CH3] 62a_200025704644_100010983122 [0,1,0,1,0,0|0,0,0]=2 4797 B11R1.838 CCOC(=O)C1(CC1)OCC 34a_100121572206_100009861064 [0,1,0,1,0,0|0,0,0]=2 4798 B11R1.838 CCOC(=O)C1(CC1)OCC 7a_200011934196_100000210202 [0,1,0,1,0,0|0,0,0]=2 4799 B11R1.838 CCOC(=O)C1(CC1)OCF 7a_200011934196_100015361967 [0,1,0,1,0,0|1,0,0]=3 4800 B11R1.838 CCOC(=O)C1(CC1)SCC 62a_100000210202_100009861064 [0,1,0,1,0,0|0,0,0]=2 4801 B11R1.838 CCOC(=O)C1(CC1)SCC 62a_100009861064_100000210202 [0,1,0,1,0,0|0,0,0]=2 4802 B11R1.838 CCOC(=O)C1(CC1)SCF 62a_100009861064_100015361967 [0,1,0,1,0,0|1,0,0]=3 4803 B11R1.838 CCOC(=O)C1(CC1)SCF 62a_100015361967_100009861064 [0,1,0,1,0,0|1,0,0]=3 4804 B11R1.838 CCOC1(CC1)C(=O)CCF 1458a_100011094191_100011217306 [0,1,0,1,0,0|2,0,0]=4 4805 B11R1.838 CCOC1(CC1)C(=O)CCO 1458a_100011094191_100000211926 [0,1,0,1,0,0|2,0,0]=4 4806 B11R1.838 CCOC1(CC1)C(=O)NNC 22a_100016993582_100011094191 [0,1,0,1,0,0|2,0,0]=4 4807 B11R1.31 C/C=C(\C)/C(=O)C1CCCC1 1458a_100020587367_100000179811 [0,1,0,1,0,0|1,0,1]=4 4808 B11R1.31 CCC(C)C(=O)C1CCCC1 1458a_100000210718_100000758301 [0,1,0,1,0,0|1,0,0]=3 4809 B11R1.31 CCC(C)C(=O)C1CCCC1 1458a_100011192722_100000179811 [0,1,0,1,0,0|1,0,0]=3 4810 B11R1.31 CCC(C)C(=O)C1CCCS1 1458a_100012002731_100000758301 [0,1,0,1,0,0|2,0,0]=4 4811 B11R1.31 CCC(C)C(=O)C1CCOC1 1458a_100011192722_100000690089 [0,1,0,1,0,0|2,0,0]=4 4812 B11R1.31 CCC(C)C(=O)C1CCOC1 1458a_100011219752_100000758301 [0,1,0,1,0,0|2,0,0]=4 4813 B11R1.31 CCC(C)C(=O)N1CCCC1 240690a_100000188435_100011192722 [0,1,0,1,0,0|2,0,0]=4 4814 B11R1.31 CCC(C)C(=O)N1CCCC1 527a_100000188435_100011192722 [0,1,0,1,0,0|2,0,0]=4 4815 B11R1.31 CCC(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000758301 [0,1,0,1,0,0|2,0,0]=4 4816 B11R1.31 CCC(O)C(=O)C1CCCC1 1458a_100011196387_100000179811 [0,1,0,1,0,0|1,0,0]=3 4817 B11R1.31 CCC(O)C(=O)C1CCOC1 1458a_100011196387_100000690089 [0,1,0,1,0,0|2,0,0]=4 4818 B11R1.31 CCC(O)C(=O)N1CCCC1 240690a_100000188435_100011196387 [0,1,0,1,0,0|2,0,0]=4 4819 B11R1.31 CCN(C)C(=O)C1CCCC1 11a_100000225621_100000210718 [0,1,0,1,0,0|1,0,0]=3 4820 B11R1.31 CCN(C)C(=O)C1CCCC1 1626a_100000225621_100000210718 [0,1,0,1,0,0|1,0,0]=3 4821 B11R1.31 CCN(C)C(=O)C1CCCC1 240690a_100000225621_100000210718 [0,1,0,1,0,0|1,0,0]=3 4822 B11R1.31 CCN(C)C(=O)C1CCCC1 527a_100000225621_100000210718 [0,1,0,1,0,0|1,0,0]=3 4823 B11R1.31 CCN(C)C(=O)C1CCCS1 11a_100000225621_100012002731 [0,1,0,1,0,0|2,0,0]=4 4824 B11R1.31 CCN(C)C(=O)C1CCCS1 1626a_100000225621_100012002731 [0,1,0,1,0,0|2,0,0]=4 4825 B11R1.31 CCN(C)C(=O)C1CCCS1 240690a_100000225621_100012002731 [0,1,0,1,0,0|2,0,0]=4 4826 B11R1.31 CCN(C)C(=O)C1CCCS1 527a_100000225621_100012002731 [0,1,0,1,0,0|2,0,0]=4 4827 B11R1.31 CCN(C)C(=O)C1CCOC1 11a_100000225621_100011219752 [0,1,0,1,0,0|2,0,0]=4 4828 B11R1.31 CCN(C)C(=O)C1CCOC1 1626a_100000225621_100011219752 [0,1,0,1,0,0|2,0,0]=4 4829 B11R1.31 CCN(C)C(=O)C1CCOC1 240690a_100000225621_100011219752 [0,1,0,1,0,0|2,0,0]=4 4830 B11R1.31 CCN(C)C(=O)C1CCOC1 527a_100000225621_100011219752 [0,1,0,1,0,0|2,0,0]=4 4831 B11R1.31 CCN(C)C(=O)[C@@H]1CCCO1 11a_100000225621_100000686382 [0,1,0,1,0,0|2,0,0]=4 4832 B11R1.31 CCN(C)C(=O)[C@@H]1CCCO1 1626a_100000225621_100000686382 [0,1,0,1,0,0|2,0,0]=4 4833 B11R1.31 CCN(C)C(=O)[C@@H]1CCCO1 240690a_100000225621_100000686382 [0,1,0,1,0,0|2,0,0]=4 4834 B11R1.31 CCN(C)C(=O)[C@@H]1CCCO1 527a_100000225621_100000686382 [0,1,0,1,0,0|2,0,0]=4 4835 B11R1.31 CNC(=O)C(=O)C1CCCC1 1458a_100011218921_100000179811 [0,1,0,1,0,0|2,0,0]=4 4836 B11R1.31 COC(C)C(=O)C1CCCC1 1458a_100000743197_100000179811 [0,1,0,1,0,0|2,0,0]=4 4837 B11R1.31 CSC(C)C(=O)C1CCCC1 1458a_100000149566_100000179811 [0,1,0,1,0,0|2,0,0]=4 4838 B11R1.31 O=C(C(O)CO)C1CCCC1 1458a_100011215603_100000179811 [0,1,0,1,0,0|2,0,0]=4 4839 B11R1.295 CCC(C)C(=O)N1CCC1C 11a_100000755817_100011192722 [0,1,0,1,0,0|2,0,0]=4 4840 B11R1.295 CCC(C)C(=O)N1CCC1C 240690a_100000755817_100011192722 [0,1,0,1,0,0|2,0,0]=4 4841 B11R1.295 CCC(C)C(=O)N1CCC1C 527a_100000755817_100011192722 [0,1,0,1,0,0|2,0,0]=4 4842 B11R1.295 CCC(O)C(=O)N1CCC1C 240690a_100000755817_100011196387 [0,1,0,1,0,0|2,0,0]=4 4843 B11R1.381 CN1CCCCC(C1=O)N[13CH3] 2230a_100159325733_200025704644 [0,1,0,1,0,0|2,0,0]=4 4844 B11R1.381 CN1CCCCC(C1=O)N[13CH3] 34a_100159325733_200025704644 [0,1,0,1,0,0|2,0,0]=4 4845 B11R1.381 CNC1CCCCN(C1=O)C 2230a_100159325733_200000210301 [0,1,0,1,0,0|2,0,0]=4 4846 B11R1.381 CNC1CCCCN(C1=O)C 34a_100159325733_200000210301 [0,1,0,1,0,0|2,0,0]=4 4847 B11R1.387 CCC(CC)C(=O)C1(CC1)C 1458a_100000756474_100000210505 [0,1,0,1,0,0|1,0,0]=3 4848 B11R1.387 CCC(CC)C(=O)C1(CC1)F 1458a_100000055089_100000210505 [0,1,0,1,0,0|1,0,0]=3 4849 B11R1.387 CCC(CC)C(=O)C1(CC1)O 1458a_100000241761_100000210505 [0,1,0,1,0,0|1,0,0]=3 4850 B11R1.387 CCN(CC)C(=O)C1(CC1)C 11a_100000724800_100000756474 [0,1,0,1,0,0|2,0,0]=4 4851 B11R1.387 CCN(CC)C(=O)C1(CC1)C 1626a_100000724800_100000756474 [0,1,0,1,0,0|2,0,0]=4 4852 B11R1.387 CCN(CC)C(=O)C1(CC1)C 240690a_100000724800_100000756474 [0,1,0,1,0,0|2,0,0]=4 4853 B11R1.387 CCN(CC)C(=O)C1(CC1)C 527a_100000724800_100000756474 [0,1,0,1,0,0|2,0,0]=4 4854 B11R1.387 CCN(CC)C(=O)C1(CC1)F 11a_100000724800_100000055089 [0,1,0,1,0,0|2,0,0]=4 4855 B11R1.387 CCN(CC)C(=O)C1(CC1)F 1626a_100000724800_100000055089 [0,1,0,1,0,0|2,0,0]=4 4856 B11R1.387 CCN(CC)C(=O)C1(CC1)F 240690a_100000724800_100000055089 [0,1,0,1,0,0|2,0,0]=4 4857 B11R1.387 CCN(CC)C(=O)C1(CC1)F 527a_100000724800_100000055089 [0,1,0,1,0,0|2,0,0]=4 4858 B11R1.387 CCN(CC)C(=O)C1(CC1)O 240690a_100000724800_100000241761 [0,1,0,1,0,0|2,0,0]=4 4859 B11R1.1011 CCC(C)C(=O)C1(CC1)CO 1458a_100012027107_100000758301 [0,1,0,1,0,0|2,0,0]=4 4860 B11R1.1011 CCC(C)C(=O)C1(CC1)OC 1458a_100000137688_100000758301 [0,1,0,1,0,0|2,0,0]=4 4861 B11R1.1011 CCN(C)C(=O)C1(CC1)CO 1626a_100000225621_100012027107 [0,1,0,1,0,0|2,0,0]=4 4862 B11R1.1011 CCN(C)C(=O)C1(CC1)CO 240690a_100000225621_100012027107 [0,1,0,1,0,0|2,0,0]=4 4863 B11R1.1011 CCN(C)C(=O)C1(CC1)OC 11a_100000225621_100000137688 [0,1,0,1,0,0|2,0,0]=4 4864 B11R1.1011 CCN(C)C(=O)C1(CC1)OC 1626a_100000225621_100000137688 [0,1,0,1,0,0|2,0,0]=4 4865 B11R1.1011 CCN(C)C(=O)C1(CC1)OC 240690a_100000225621_100000137688 [0,1,0,1,0,0|2,0,0]=4 4866 B11R1.1011 CCN(C)C(=O)C1(CC1)OC 527a_100000225621_100000137688 [0,1,0,1,0,0|2,0,0]=4 4867 B11R1.33 CCNS(=O)(=O)C1CCCC1 270084a_100015525214_100000748936 [0,1,0,1,0,0|2,0,0]=4 4868 B11R1.33 CCNS(=O)(=O)C1CCCC1 274078a_100015525214_100000748936 [0,1,0,1,0,0|2,0,0]=4 4869 B11R1.33 CCOC(C)(C)C1CCCC1 34a_100000745555_100000210202 [0,1,0,1,0,0|1,0,1]=4 4870 B11R1.33 CCOC(C)(C)C1CCCC1 7a_100000745555_100000210202 [0,1,0,1,0,0|1,0,1]=4 4871 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,1,0,1,0,0|1,0,1]=4 4872 B11R1.143 CC(=O)C1CCCCNC1=O 1458a_100000070787_100000735217 [0,1,0,1,0,0|1,0,1]=4 4873 B11R1.143 CN(C)C1CCCCCC1=O 269982a_100102631434_100000243696 [0,1,0,1,0,0|2,0,0]=4 4874 B11R1.143 CN(C)C1CCCCNC1=O 2230a_100102631434_100000735217 [0,1,0,1,0,0|2,0,0]=4 4875 B11R1.143 CN(C)C1CCCCNC1=O 269982a_100102631434_100000735217 [0,1,0,1,0,0|2,0,0]=4 4876 B11R1.156 CC(C)C1C(=O)NCCN1C 2230a_100000751287_200000210301 [0,1,0,1,0,0|2,0,0]=4 4877 B11R1.156 CC(C)C1C(=O)NCCN1C 269982a_100000751287_200000210301 [0,1,0,1,0,0|2,0,0]=4 4878 B11R1.156 CC(C)C1C(=O)NCCN1C 34a_100000751287_200000210301 [0,1,0,1,0,0|2,0,0]=4 4879 B11R1.156 CC(C)C1C(=O)NCCN1[13CH3] 2230a_100000751287_200025704644 [0,1,0,1,0,0|2,0,0]=4 4880 B11R1.156 CC(C)C1C(=O)NCCN1[13CH3] 269982a_100000751287_200025704644 [0,1,0,1,0,0|2,0,0]=4 4881 B11R1.156 CC(C)C1C(=O)NCCN1[13CH3] 34a_100000751287_200025704644 [0,1,0,1,0,0|2,0,0]=4 4882 B11R1.835 CCCC(=O)C1(CC1)C(=O)C 1458a_100000211992_100000086384 [0,1,0,1,0,0|1,0,1]=4 4883 B11R1.835 CCCC(=O)C1(CC1)N(C)C 1458a_200012027079_100000210303 [0,1,0,1,0,0|2,0,0]=4 4884 B11R1.835 CCNC(=O)C1(CC1)N(C)C 11a_100015525214_200012027079 [0,1,0,1,0,0|2,0,0]=4 4885 B11R1.835 CCNC(=O)C1(CC1)N(C)C 240690a_100015525214_200012027079 [0,1,0,1,0,0|2,0,0]=4 4886 B11R1.835 CCNC(=O)C1(CC1)N(C)C 527a_100015525214_200012027079 [0,1,0,1,0,0|2,0,0]=4 4887 B11R1.835 CCOC(=O)C1(CC1)C(=O)C 1458a_100000055151_200000210301 [0,1,0,1,0,0|0,0,1]=3 4888 B11R1.835 CCOC(=O)C1(CC1)C(=O)C 1458a_100000070787_100009861064 [0,1,0,1,0,0|0,0,1]=3 4889 B11R1.835 CCOC(=O)C1(CC1)C(=O)[13CH3] 1458a_100000055151_200025704644 [0,1,0,1,0,0|0,0,1]=3 4890 B11R1.1021 CCN(C(=O)C1CC1)C(C)C 11a_100000223864_100000210395 [0,1,0,1,0,0|2,0,0]=4 4891 B11R1.1021 CCN(C(=O)C1CC1)C(C)C 1626a_100000223864_100000210395 [0,1,0,1,0,0|2,0,0]=4 4892 B11R1.1021 CCN(C(=O)C1CC1)C(C)C 240690a_100000223864_100000210395 [0,1,0,1,0,0|2,0,0]=4 4893 B11R1.1021 CCN(C(=O)C1CC1)C(C)C 527a_100000223864_100000210395 [0,1,0,1,0,0|2,0,0]=4 4894 B11R1.1064 CC(=O)C1(CCOC1=O)S[13CH3] 62a_100000088255_200025704644 [0,1,0,1,0,0|1,0,1]=4 4895 B11R1.1064 CC(=O)C1(CCOC1=O)S[13CH3] 62a_200025704644_100000088255 [0,1,0,1,0,0|1,0,1]=4 4896 B11R1.1064 CNC1(CCOC1=O)C(=O)C 34a_100102657272_100000088255 [0,1,0,1,0,0|1,0,1]=4 4897 B11R1.1064 COC1(CCOC1=O)C(=O)C 34a_100138415774_100000088255 [0,1,0,1,0,0|1,0,1]=4 4898 B11R1.1064 CSC1(CCOC1=O)C(=O)C 62a_100000088255_200000210301 [0,1,0,1,0,0|1,0,1]=4 4899 B11R1.1064 CSC1(CCOC1=O)C(=O)C 62a_200000210301_100000088255 [0,1,0,1,0,0|1,0,1]=4 4900 B11R1.819 CC1(CCCC1)C(=O)CCF 1458a_100000239728_100011217306 [0,1,0,1,0,0|2,0,0]=4 4901 B11R1.819 CC1(CCCC1)C(=O)CCO 1458a_100000239728_100000211926 [0,1,0,1,0,0|2,0,0]=4 4902 B11R1.819 CCCC(=O)C1(CCCC1)C 1458a_100000239728_100000210303 [0,1,0,1,0,0|1,0,0]=3 4903 B11R1.819 CCCC(=O)C1(CCCC1)O 1458a_100000242637_100000210303 [0,1,0,1,0,0|1,0,0]=3 4904 B11R1.819 CCCC(=O)C1(CCCO1)C 1458a_100000684770_100000210303 [0,1,0,1,0,0|2,0,0]=4 4905 B11R1.819 CCNC(=O)C1(CCCC1)C 11a_100015525214_100000239728 [0,1,0,1,0,0|1,0,0]=3 4906 B11R1.819 CCNC(=O)C1(CCCC1)C 240690a_100015525214_100000239728 [0,1,0,1,0,0|1,0,0]=3 4907 B11R1.819 CCNC(=O)C1(CCCC1)C 527a_100015525214_100000239728 [0,1,0,1,0,0|1,0,0]=3 4908 B11R1.819 CCNC(=O)C1(CCCC1)O 240690a_100015525214_100000242637 [0,1,0,1,0,0|1,0,0]=3 4909 B11R1.819 CCNC(=O)C1(CCCC1)O 527a_100015525214_100000242637 [0,1,0,1,0,0|1,0,0]=3 4910 B11R1.819 CCNC(=O)C1(CCCO1)C 11a_100015525214_100000684770 [0,1,0,1,0,0|2,0,0]=4 4911 B11R1.819 CCNC(=O)C1(CCCO1)C 240690a_100015525214_100000684770 [0,1,0,1,0,0|2,0,0]=4 4912 B11R1.819 CCNC(=O)C1(CCCO1)C 527a_100015525214_100000684770 [0,1,0,1,0,0|2,0,0]=4 4913 B11R1.819 CNNC(=O)C1(CCCC1)C 22a_100016993582_100000239728 [0,1,0,1,0,0|2,0,0]=4 4914 B11R1.819 CNNC(=O)C1(CCCC1)O 22a_100016993582_100000242637 [0,1,0,1,0,0|2,0,0]=4 4915 B11R1.819 O=C(CCF)C1(CCCC1)O 1458a_100000242637_100011217306 [0,1,0,1,0,0|2,0,0]=4 4916 B11R1.819 O=C(CCO)C1(CCCC1)O 1458a_100000242637_100000211926 [0,1,0,1,0,0|2,0,0]=4 4917 B11R1.1058 CCC1(C(=O)NCCN1C)C 2230a_100011653952_200000210301 [0,1,0,1,0,0|2,0,0]=4 4918 B11R1.1058 CCC1(C(=O)NCCN1C)C 269982a_100011653952_200000210301 [0,1,0,1,0,0|2,0,0]=4 4919 B11R1.1058 CCC1(C(=O)NCCN1C)C 34a_100011653952_200000210301 [0,1,0,1,0,0|2,0,0]=4 4920 B11R1.1058 CCC1(C(=O)NCCN1[13CH3])C 2230a_100011653952_200025704644 [0,1,0,1,0,0|2,0,0]=4 4921 B11R1.1058 CCC1(C(=O)NCCN1[13CH3])C 269982a_100011653952_200025704644 [0,1,0,1,0,0|2,0,0]=4 4922 B11R1.1058 CCC1(C(=O)NCCN1[13CH3])C 34a_100011653952_200025704644 [0,1,0,1,0,0|2,0,0]=4 4923 B11R1.1538 CCC(C)(CC)C(=O)C1CC1 1458a_100000210395_100009817345 [0,1,0,1,0,0|1,0,0]=3 4924 B11R1.1538 CCC(C)(CC)C(=O)C1CO1 1458a_100000701028_100009817345 [0,1,0,1,0,0|2,0,0]=4 4925 B11R1.77 C=C(C)CC(=O)C1CCCC1 1458a_100000210718_100000748629 [0,1,0,1,0,0|1,0,1]=4 4926 B11R1.77 CC(=CC(=O)C1CCCC1)C 1458a_100000211388_100000179811 [0,1,0,1,0,0|1,0,1]=4 4927 B11R1.77 CC(=CC(=O)C1CCCC1)Cl 1458a_200042562850_100000179811 [0,1,0,1,0,0|1,0,1]=4 4928 B11R1.77 CC(=CC(=O)C1CCCC1)I 1458a_100025716642_100000179811 [0,1,0,1,0,0|1,0,1]=4 4929 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210554_100000179811 [0,1,0,1,0,0|1,0,0]=3 4930 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210718_100000210624 [0,1,0,1,0,0|1,0,0]=3 4931 B11R1.77 CC(C)CC(=O)C1CCCS1 1458a_100012002731_100000210624 [0,1,0,1,0,0|2,0,0]=4 4932 B11R1.77 CC(C)CC(=O)C1CCOC1 1458a_100000210554_100000690089 [0,1,0,1,0,0|2,0,0]=4 4933 B11R1.77 CC(C)CC(=O)C1CCOC1 1458a_100011219752_100000210624 [0,1,0,1,0,0|2,0,0]=4 4934 B11R1.77 CC(C)CC(=O)N1CCCC1 240690a_100000188435_100000210554 [0,1,0,1,0,0|2,0,0]=4 4935 B11R1.77 CC(C)CC(=O)N1CCCC1 527a_100000188435_100000210554 [0,1,0,1,0,0|2,0,0]=4 4936 B11R1.77 CC(C)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210624 [0,1,0,1,0,0|2,0,0]=4 4937 B11R1.77 CC(C)NC(=O)C1CCCC1 11a_100138425928_100000210718 [0,1,0,1,0,0|1,0,0]=3 4938 B11R1.77 CC(C)NC(=O)C1CCCC1 1626a_100138425928_100000210718 [0,1,0,1,0,0|1,0,0]=3 4939 B11R1.77 CC(C)NC(=O)C1CCCC1 240690a_100138425928_100000210718 [0,1,0,1,0,0|1,0,0]=3 4940 B11R1.77 CC(C)NC(=O)C1CCCC1 527a_100138425928_100000210718 [0,1,0,1,0,0|1,0,0]=3 4941 B11R1.77 CC(C)NC(=O)C1CCCS1 11a_100138425928_100012002731 [0,1,0,1,0,0|2,0,0]=4 4942 B11R1.77 CC(C)NC(=O)C1CCCS1 1626a_100138425928_100012002731 [0,1,0,1,0,0|2,0,0]=4 4943 B11R1.77 CC(C)NC(=O)C1CCCS1 240690a_100138425928_100012002731 [0,1,0,1,0,0|2,0,0]=4 4944 B11R1.77 CC(C)NC(=O)C1CCCS1 527a_100138425928_100012002731 [0,1,0,1,0,0|2,0,0]=4 4945 B11R1.77 CC(C)NC(=O)C1CCOC1 11a_100138425928_100011219752 [0,1,0,1,0,0|2,0,0]=4 4946 B11R1.77 CC(C)NC(=O)C1CCOC1 1626a_100138425928_100011219752 [0,1,0,1,0,0|2,0,0]=4 4947 B11R1.77 CC(C)NC(=O)C1CCOC1 240690a_100138425928_100011219752 [0,1,0,1,0,0|2,0,0]=4 4948 B11R1.77 CC(C)NC(=O)C1CCOC1 527a_100138425928_100011219752 [0,1,0,1,0,0|2,0,0]=4 4949 B11R1.77 CC(C)NC(=O)N1CCCC1 2708a_100138425928_100000188435 [0,1,0,1,0,0|2,0,0]=4 4950 B11R1.77 CC(C)NC(=O)N1CCCC1 273464a_100138425928_100000188435 [0,1,0,1,0,0|2,0,0]=4 4951 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 11a_100138425928_100000686382 [0,1,0,1,0,0|2,0,0]=4 4952 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 1626a_100138425928_100000686382 [0,1,0,1,0,0|2,0,0]=4 4953 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 240690a_100138425928_100000686382 [0,1,0,1,0,0|2,0,0]=4 4954 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 527a_100138425928_100000686382 [0,1,0,1,0,0|2,0,0]=4 4955 B11R1.77 CC(C)OC(C)C1CCCC1 34a_100011216366_100000210206 [0,1,0,1,0,0|1,0,1]=4 4956 B11R1.77 CC(C)OC(C)C1CCCC1 7a_100011216366_100000210206 [0,1,0,1,0,0|1,0,1]=4 4957 B11R1.77 CC(O)CC(=O)C1CCCC1 1458a_100000210718_100011218427 [0,1,0,1,0,0|1,0,0]=3 4958 B11R1.77 CC(O)CC(=O)C1CCCS1 1458a_100012002731_100011218427 [0,1,0,1,0,0|2,0,0]=4 4959 B11R1.77 CC(O)CC(=O)C1CCOC1 1458a_100011219752_100011218427 [0,1,0,1,0,0|2,0,0]=4 4960 B11R1.77 CC(O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100011218427 [0,1,0,1,0,0|2,0,0]=4 4961 B11R1.77 CN(C)CC(=O)C1CCCC1 1458a_100000750896_100000179811 [0,1,0,1,0,0|2,0,0]=4 4962 B11R1.77 C[C@@H](O)CC(=O)C1CCCC1 1458a_100011933948_100000179811 [0,1,0,1,0,0|1,0,0]=3 4963 B11R1.77 C[C@@H](O)CC(=O)C1CCOC1 1458a_100011933948_100000690089 [0,1,0,1,0,0|2,0,0]=4 4964 B11R1.77 C[C@@H](O)CC(=O)N1CCCC1 240690a_100000188435_100011933948 [0,1,0,1,0,0|2,0,0]=4 4965 B11R1.77 C[S+](C)CC(=O)C1CCCC1 1458a_200159257847_100000179811 [0,1,0,1,0,0|2,0,0]=4 4966 B11R1.77 O=C(CC(F)F)C1CCCC1 1458a_100000210718_100011934356 [0,1,0,1,0,0|2,0,0]=4 4967 B11R1.141 CC(C)CC(=O)N1CCC1C 11a_100000755817_100000210554 [0,1,0,1,0,0|2,0,0]=4 4968 B11R1.141 CC(C)CC(=O)N1CCC1C 240690a_100000755817_100000210554 [0,1,0,1,0,0|2,0,0]=4 4969 B11R1.141 CC(C)CC(=O)N1CCC1C 527a_100000755817_100000210554 [0,1,0,1,0,0|2,0,0]=4 4970 B11R1.141 CC(C)NC(=O)N1CCC1C 2708a_100138425928_100000755817 [0,1,0,1,0,0|2,0,0]=4 4971 B11R1.141 CC(C)NC(=O)N1CCC1C 273464a_100138425928_100000755817 [0,1,0,1,0,0|2,0,0]=4 4972 B11R1.141 CC1CCN1C(=O)C[C@@H](C)O 240690a_100000755817_100011933948 [0,1,0,1,0,0|2,0,0]=4 4973 B11R1.405 CC(C)CC(=O)C1(CC1)CO 1458a_100012027107_100000210624 [0,1,0,1,0,0|2,0,0]=4 4974 B11R1.405 CC(C)NC(=O)C1(CC1)CO 1626a_100138425928_100012027107 [0,1,0,1,0,0|2,0,0]=4 4975 B11R1.405 CC(C)NC(=O)C1(CC1)CO 240690a_100138425928_100012027107 [0,1,0,1,0,0|2,0,0]=4 4976 B11R1.405 CC(O)CC(=O)C1(CC1)CO 1458a_100012027107_100011218427 [0,1,0,1,0,0|2,0,0]=4 4977 B11R1.405 COC1(CC1)C(=O)CC(C)C 1458a_100000137688_100000210624 [0,1,0,1,0,0|2,0,0]=4 4978 B11R1.405 COC1(CC1)C(=O)CC(C)O 1458a_100000137688_100011218427 [0,1,0,1,0,0|2,0,0]=4 4979 B11R1.405 COC1(CC1)C(=O)NC(C)C 11a_100138425928_100000137688 [0,1,0,1,0,0|2,0,0]=4 4980 B11R1.405 COC1(CC1)C(=O)NC(C)C 1626a_100138425928_100000137688 [0,1,0,1,0,0|2,0,0]=4 4981 B11R1.405 COC1(CC1)C(=O)NC(C)C 240690a_100138425928_100000137688 [0,1,0,1,0,0|2,0,0]=4 4982 B11R1.405 COC1(CC1)C(=O)NC(C)C 527a_100138425928_100000137688 [0,1,0,1,0,0|2,0,0]=4 4983 B11R2.76 CCOC1C2CCC1CC2 34a_100121572206_100009813300 [0,0,0,2,0,0|1,0,1]=4 4984 B11R2.248 CCOC1CC2CCC1C2 34a_100000211339_100000210202 [0,0,0,2,0,0|1,0,1]=4 4985 B11R2.248 CCOC1CC2CCC1C2 34a_100121572206_100000727232 [0,0,0,2,0,0|1,0,1]=4 4986 B11R2.28 CSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200000210301_200015607011 [0,0,0,2,0,0|2,0,0]=4 4987 B11R2.28 CSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_200000210301 [0,0,0,2,0,0|2,0,0]=4 4988 B11R2.28 [13CH3]SC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_200025704644 [0,0,0,2,0,0|2,0,0]=4 4989 B11R2.28 [13CH3]SC1C(=O)[C@H]2CC[C@@H]1C2 62a_200025704644_200015607011 [0,0,0,2,0,0|2,0,0]=4 4990 B11R2.1031 O=C(C1CC1)C2CCOC2 1458a_100000210395_100000690089 [0,0,0,2,0,0|2,0,0]=4 4991 B11R2.1031 O=C(C1CC1)N2CCCC2 240690a_100000188435_100000210395 [0,0,0,2,0,0|2,0,0]=4 4992 B11R2.1031 O=C(C1CC1)N2CCCC2 527a_100000188435_100000210395 [0,0,0,2,0,0|2,0,0]=4 4993 B11R2.1031 O=C(C1CCCC1)C2CC2 1458a_100000210395_100000179811 [0,0,0,2,0,0|1,0,0]=3 4994 B11R2.1031 O=C(C1CCCC1)C2CO2 1458a_100000701028_100000179811 [0,0,0,2,0,0|2,0,0]=4 4995 B11R2.792 CC1CCN1C(=O)C2CC2 11a_100000755817_100000210395 [0,0,0,2,0,0|2,0,0]=4 4996 B11R2.792 CC1CCN1C(=O)C2CC2 240690a_100000755817_100000210395 [0,0,0,2,0,0|2,0,0]=4 4997 B11R2.792 CC1CCN1C(=O)C2CC2 527a_100000755817_100000210395 [0,0,0,2,0,0|2,0,0]=4 4998 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [1,0,0,0,0,1|1,0,1]=4 4999 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [1,0,0,0,0,1|1,0,1]=4 5000 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [1,0,0,0,0,1|1,0,1]=4 5001 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [1,0,0,0,0,1|1,0,1]=4 5002 B9R0.34 CC=CC(=O)NC(C)CC 11a_100000209981_100000210699 [1,0,0,0,0,1|1,0,1]=4 5003 B9R0.34 CC=CC(=O)NC(C)CC 1626a_100000209981_100000210699 [1,0,0,0,0,1|1,0,1]=4 5004 B9R0.34 CC=CC(=O)NC(C)CC 240690a_100000209981_100000210699 [1,0,0,0,0,1|1,0,1]=4 5005 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [1,0,0,0,0,1|2,0,0]=4 5006 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [1,0,0,0,0,1|2,0,0]=4 5007 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [1,0,0,0,0,1|2,0,0]=4 5008 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [1,0,0,0,0,1|2,0,0]=4 5009 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [1,0,0,0,0,1|2,0,0]=4 5010 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [1,0,0,0,0,1|2,0,0]=4 5011 B9R0.34 CCC(C)NC(=O)CCO 240690a_100000209981_100011216618 [1,0,0,0,0,1|2,0,0]=4 5012 B9R0.34 CCC(C)NC(=O)CNC 2230a_106832991635_100000182745 [1,0,0,0,0,1|2,0,0]=4 5013 B9R0.34 CCC(C)NC(=O)CNC 34a_100102657272_100000182745 [1,0,0,0,0,1|2,0,0]=4 5014 B9R0.34 CCC(C)NC(=O)CNC 7a_106832991635_100000182745 [1,0,0,0,0,1|2,0,0]=4 5015 B9R0.34 CCC(C)NC(=O)COC 11a_100000209981_100000210968 [1,0,0,0,0,1|2,0,0]=4 5016 B9R0.34 CCC(C)NC(=O)COC 1626a_100000209981_100000210968 [1,0,0,0,0,1|2,0,0]=4 5017 B9R0.34 CCC(C)NC(=O)COC 240690a_100000209981_100000210968 [1,0,0,0,0,1|2,0,0]=4 5018 B9R0.34 CCC(C)NC(=O)COC 34a_100138415774_100000182745 [1,0,0,0,0,1|2,0,0]=4 5019 B9R0.34 CCC(C)NC(=O)COC 527a_100000209981_100000210968 [1,0,0,0,0,1|2,0,0]=4 5020 B9R0.34 CCC(C)NC(=O)CSC 11a_100000209981_100000184570 [1,0,0,0,0,1|2,0,0]=4 5021 B9R0.34 CCC(C)NC(=O)CSC 1626a_100000209981_100000184570 [1,0,0,0,0,1|2,0,0]=4 5022 B9R0.34 CCC(C)NC(=O)CSC 240690a_100000209981_100000184570 [1,0,0,0,0,1|2,0,0]=4 5023 B9R0.34 CCC(C)NC(=O)CSC 527a_100000209981_100000184570 [1,0,0,0,0,1|2,0,0]=4 5024 B9R0.34 CCC(C)NC(=O)CSC 62a_100000182745_200000210301 [1,0,0,0,0,1|2,0,0]=4 5025 B9R0.34 CCC(C)NC(=O)CSC 62a_200000210301_100000182745 [1,0,0,0,0,1|2,0,0]=4 5026 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_100000182745_200025704644 [1,0,0,0,0,1|2,0,0]=4 5027 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000182745 [1,0,0,0,0,1|2,0,0]=4 5028 B9R0.34 CCC(C)NC(=O)NNC 273464a_100000209981_100016993582 [1,0,0,0,0,1|2,0,0]=4 5029 B9R0.34 CCC(C)NC(=O)NNC 512a_100000209981_100016993582 [1,0,0,0,0,1|2,0,0]=4 5030 B9R0.34 CCC(C)NC(=O)NNC 512a_100016993582_100000209981 [1,0,0,0,0,1|2,0,0]=4 5031 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [1,0,0,0,0,1|1,0,1]=4 5032 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [1,0,0,0,0,1|1,0,0]=3 5033 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [1,0,0,0,0,1|1,0,0]=3 5034 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [1,0,0,0,0,1|2,0,0]=4 5035 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [1,0,0,0,0,1|2,0,0]=4 5036 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [1,0,0,0,0,1|2,0,0]=4 5037 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [1,0,0,0,0,1|2,0,0]=4 5038 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [1,0,0,0,0,1|2,0,0]=4 5039 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [1,0,0,0,0,1|1,0,0]=3 5040 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [1,0,0,0,0,1|2,0,0]=4 5041 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [1,0,0,0,0,1|1,0,0]=3 5042 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [1,0,0,0,0,1|1,0,0]=3 5043 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [1,0,0,0,0,1|1,0,0]=3 5044 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [1,0,0,0,0,1|1,0,0]=3 5045 B9R0.34 CCCC(=O)N[C@H](C)CF 11a_100102880703_100000211992 [1,0,0,0,0,1|2,0,0]=4 5046 B9R0.34 CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211992 [1,0,0,0,0,1|2,0,0]=4 5047 B9R0.34 CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211992 [1,0,0,0,0,1|2,0,0]=4 5048 B9R0.34 CCCC(=O)N[C@H](C)CF 527a_100102880703_100000211992 [1,0,0,0,0,1|2,0,0]=4 5049 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [1,0,0,0,0,1|2,0,0]=4 5050 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [1,0,0,0,0,1|2,0,0]=4 5051 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [1,0,0,0,0,1|1,0,1]=4 5052 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [1,0,0,0,0,1|1,0,1]=4 5053 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [1,0,0,0,0,1|1,0,0]=3 5054 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [1,0,0,0,0,1|1,0,0]=3 5055 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [1,0,0,0,0,1|1,0,0]=3 5056 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [1,0,0,0,0,1|2,0,0]=4 5057 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [1,0,0,0,0,1|2,0,0]=4 5058 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [1,0,0,0,0,1|2,0,0]=4 5059 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [1,0,0,0,0,1|2,0,0]=4 5060 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [1,0,0,0,0,1|2,0,0]=4 5061 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [1,0,0,0,0,1|2,0,0]=4 5062 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [1,0,0,0,0,1|2,0,0]=4 5063 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [1,0,0,0,0,1|1,0,0]=3 5064 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [1,0,0,0,0,1|1,0,0]=3 5065 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [1,0,0,0,0,1|1,0,0]=3 5066 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [1,0,0,0,0,1|1,0,0]=3 5067 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [1,0,0,0,0,1|1,0,0]=3 5068 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [1,0,0,0,0,1|1,0,0]=3 5069 B9R0.34 CCNC(=O)N[C@H](C)CF 2708a_100015525214_100102880703 [1,0,0,0,0,1|2,0,0]=4 5070 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100015525214_100102880703 [1,0,0,0,0,1|2,0,0]=4 5071 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100102880703_100015525214 [1,0,0,0,0,1|2,0,0]=4 5072 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100015525214_100102880703 [1,0,0,0,0,1|2,0,0]=4 5073 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100102880703_100015525214 [1,0,0,0,0,1|2,0,0]=4 5074 B9R0.34 CCNC(=O)N[C@H](C)CO 2708a_100015525214_100000737577 [1,0,0,0,0,1|2,0,0]=4 5075 B9R0.34 CCNC(=O)N[C@H](C)CO 273464a_100000737577_100015525214 [1,0,0,0,0,1|2,0,0]=4 5076 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100000737577_100015525214 [1,0,0,0,0,1|2,0,0]=4 5077 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100015525214_100000737577 [1,0,0,0,0,1|2,0,0]=4 5078 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [1,0,0,0,0,1|1,0,1]=4 5079 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [1,0,0,0,0,1|1,0,1]=4 5080 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [1,0,0,0,0,1|1,0,0]=3 5081 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [1,0,0,0,0,1|1,0,0]=3 5082 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [1,0,0,0,0,1|1,0,0]=3 5083 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [1,0,0,0,0,1|1,0,0]=3 5084 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [1,0,0,0,0,1|1,0,0]=3 5085 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [1,0,0,0,0,1|1,0,0]=3 5086 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [1,0,0,0,0,1|1,0,0]=3 5087 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [1,0,0,0,0,1|1,0,0]=3 5088 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [1,0,0,0,0,1|1,0,0]=3 5089 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [1,0,0,0,0,1|1,0,0]=3 5090 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [1,0,0,0,0,1|1,0,0]=3 5091 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [1,0,0,0,0,1|1,0,0]=3 5092 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [1,0,0,0,0,1|1,0,0]=3 5093 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [1,0,0,0,0,1|1,0,0]=3 5094 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [1,0,0,0,0,1|1,0,0]=3 5095 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [1,0,0,0,0,1|1,0,0]=3 5096 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [1,0,0,0,0,1|1,0,0]=3 5097 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [1,0,0,0,0,1|1,0,0]=3 5098 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [1,0,0,0,0,1|1,0,0]=3 5099 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [1,0,0,0,0,1|2,0,0]=4 5100 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [1,0,0,0,0,1|2,0,0]=4 5101 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [1,0,0,0,0,1|2,0,0]=4 5102 B11R0.9 C#CC(CC)OCC(=O)OCC 34a_100000758843_100000188475 [0,0,0,0,0,2|0,0,2]=4 5103 B11R0.9 C#CC(CC)OCC(=O)OCC 7a_100000758843_100000188475 [0,0,0,0,0,2|0,0,2]=4 5104 B11R0.9 C=CC(CC)OCC(=O)OCC 34a_100000766422_100000188475 [0,0,0,0,0,2|0,0,2]=4 5105 B11R0.9 C=CC(CC)OCC(=O)OCC 7a_100000766422_100000188475 [0,0,0,0,0,2|0,0,2]=4 5106 B11R0.9 C=COC(=O)CNC(CC)CC 2230a_100000199018_100000036128 [0,0,0,0,0,2|0,0,2]=4 5107 B11R0.9 C=COC(=O)CSC(CC)CC 62a_100000036128_100000210505 [0,0,0,0,0,2|0,0,2]=4 5108 B11R0.9 C=COC(=O)CSC(CC)CC 62a_100000210505_100000036128 [0,0,0,0,0,2|0,0,2]=4 5109 B11R0.9 CC#CC(=O)NNC(CC)CC 22a_100000756293_100000763181 [0,0,0,0,0,2|1,0,1]=4 5110 B11R0.9 CC=CC(=O)NCC(CC)CC 11a_100102946423_100000210699 [0,0,0,0,0,2|1,0,1]=4 5111 B11R0.9 CC=CC(=O)NCC(CC)CC 1626a_100102946423_100000210699 [0,0,0,0,0,2|1,0,1]=4 5112 B11R0.9 CC=CC(=O)NCC(CC)CC 240690a_100102946423_100000210699 [0,0,0,0,0,2|1,0,1]=4 5113 B11R0.9 CC=CC(=O)NNC(CC)CC 22a_100000756293_100000210699 [0,0,0,0,0,2|1,0,1]=4 5114 B11R0.9 CCC(CC)CNC(=O)CCO 240690a_100102946423_100011216618 [0,0,0,0,0,2|2,0,0]=4 5115 B11R0.9 CCC(CC)CNC(=O)COC 11a_100102946423_100000210968 [0,0,0,0,0,2|2,0,0]=4 5116 B11R0.9 CCC(CC)CNC(=O)COC 1626a_100102946423_100000210968 [0,0,0,0,0,2|2,0,0]=4 5117 B11R0.9 CCC(CC)CNC(=O)COC 240690a_100102946423_100000210968 [0,0,0,0,0,2|2,0,0]=4 5118 B11R0.9 CCC(CC)CNC(=O)COC 527a_100102946423_100000210968 [0,0,0,0,0,2|2,0,0]=4 5119 B11R0.9 CCC(CC)CNC(=O)CSC 11a_100102946423_100000184570 [0,0,0,0,0,2|2,0,0]=4 5120 B11R0.9 CCC(CC)CNC(=O)CSC 1626a_100102946423_100000184570 [0,0,0,0,0,2|2,0,0]=4 5121 B11R0.9 CCC(CC)CNC(=O)CSC 240690a_100102946423_100000184570 [0,0,0,0,0,2|2,0,0]=4 5122 B11R0.9 CCC(CC)CNC(=O)CSC 527a_100102946423_100000184570 [0,0,0,0,0,2|2,0,0]=4 5123 B11R0.9 CCC(CC)CNC(=O)NNC 273464a_100102946423_100016993582 [0,0,0,0,0,2|2,0,0]=4 5124 B11R0.9 CCC(CC)CNC(=O)NNC 512a_100016993582_100102946423 [0,0,0,0,0,2|2,0,0]=4 5125 B11R0.9 CCC(CC)CNC(=O)NNC 512a_100102946423_100016993582 [0,0,0,0,0,2|2,0,0]=4 5126 B11R0.9 CCC(CC)NCC(=O)NCO 2230a_100000199018_100000185155 [0,0,0,0,0,2|2,0,0]=4 5127 B11R0.9 CCC(CC)NNC(=O)CCO 22a_100000756293_100011216618 [0,0,0,0,0,2|2,0,0]=4 5128 B11R0.9 CCC(CC)NNC(=O)COC 22a_100000756293_100000210968 [0,0,0,0,0,2|2,0,0]=4 5129 B11R0.9 CCC(CC)NNC(=O)CSC 22a_100000756293_100000184570 [0,0,0,0,0,2|2,0,0]=4 5130 B11R0.9 CCC(CC)NNC(=O)NNC 512a_100000756293_100016993582 [0,0,0,0,0,2|2,0,0]=4 5131 B11R0.9 CCC(CC)NNC(=O)NNC 512a_100016993582_100000756293 [0,0,0,0,0,2|2,0,0]=4 5132 B11R0.9 CCC(CC)OCC(=O)CCF 1458a_100012002705_100011217306 [0,0,0,0,0,2|2,0,0]=4 5133 B11R0.9 CCC(CC)OCC(=O)CCO 1458a_100012002705_100000211926 [0,0,0,0,0,2|2,0,0]=4 5134 B11R0.9 CCC(CC)OCC(=O)NCO 7a_100000688536_100000185155 [0,0,0,0,0,2|2,0,0]=4 5135 B11R0.9 CCC(CC)OCC(=O)NNC 22a_100016993582_100012002705 [0,0,0,0,0,2|2,0,0]=4 5136 B11R0.9 CCC(CC)SCC(=O)NCO 62a_100000185155_100000210505 [0,0,0,0,0,2|2,0,0]=4 5137 B11R0.9 CCC(CC)SCC(=O)NCO 62a_100000210505_100000185155 [0,0,0,0,0,2|2,0,0]=4 5138 B11R0.9 CCCC(=NNC(CC)CC)C 4a_100000756293_100000211909 [0,0,0,0,0,2|2,0,0]=4 5139 B11R0.9 CCCC(=O)CCN(CC)CC 1458a_100000211992_100000700428 [0,0,0,0,0,2|2,0,0]=4 5140 B11R0.9 CCCC(=O)CCN(CC)CC 1458a_100000750416_100000210303 [0,0,0,0,0,2|2,0,0]=4 5141 B11R0.9 CCCC(=O)CNC(CC)CC 2230a_100000199018_100000747444 [0,0,0,0,0,2|1,0,0]=3 5142 B11R0.9 CCCC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000747444 [0,0,0,0,0,2|2,0,0]=4 5143 B11R0.9 CCCC(=O)COC(CC)CC 1458a_100012002705_100000210303 [0,0,0,0,0,2|1,0,0]=3 5144 B11R0.9 CCCC(=O)COC(CC)CC 7a_100000688536_100000747444 [0,0,0,0,0,2|1,0,0]=3 5145 B11R0.9 CCCC(=O)CSC(CC)CC 62a_100000210505_100000747444 [0,0,0,0,0,2|1,0,0]=3 5146 B11R0.9 CCCC(=O)CSC(CC)CC 62a_100000747444_100000210505 [0,0,0,0,0,2|1,0,0]=3 5147 B11R0.9 CCCC(=O)NCC(CC)CC 11a_100102946423_100000211992 [0,0,0,0,0,2|1,0,0]=3 5148 B11R0.9 CCCC(=O)NCC(CC)CC 1626a_100102946423_100000211992 [0,0,0,0,0,2|1,0,0]=3 5149 B11R0.9 CCCC(=O)NCC(CC)CC 240690a_100102946423_100000211992 [0,0,0,0,0,2|1,0,0]=3 5150 B11R0.9 CCCC(=O)NCC(CC)CC 527a_100102946423_100000211992 [0,0,0,0,0,2|1,0,0]=3 5151 B11R0.9 CCCC(=O)NCC(CC)OC 11a_100000731041_100000211992 [0,0,0,0,0,2|2,0,0]=4 5152 B11R0.9 CCCC(=O)NCC(CC)OC 1626a_100000731041_100000211992 [0,0,0,0,0,2|2,0,0]=4 5153 B11R0.9 CCCC(=O)NCC(CC)OC 240690a_100000731041_100000211992 [0,0,0,0,0,2|2,0,0]=4 5154 B11R0.9 CCCC(=O)NCC(CC)OC 527a_100000731041_100000211992 [0,0,0,0,0,2|2,0,0]=4 5155 B11R0.9 CCCC(=O)NN=C(CC)CC 4a_100000189770_100000210860 [0,0,0,0,0,2|1,0,1]=4 5156 B11R0.9 CCCC(=O)NNC(CC)CC 22a_100000756293_100000211992 [0,0,0,0,0,2|1,0,0]=3 5157 B11R0.9 CCCC(=O)OCN(CC)CC 2230a_100000724800_100000034017 [0,0,0,0,0,2|2,0,0]=4 5158 B11R0.9 CCCC(=O)OCN(CC)CC 269956a_100000042499_100000034017 [0,0,0,0,0,2|2,0,0]=4 5159 B11R0.9 CCCC(=O)OCN(CC)CC 269982a_100000724800_100000034017 [0,0,0,0,0,2|2,0,0]=4 5160 B11R0.9 CCNC(=O)CCN(CC)CC 11a_100015525214_100000750416 [0,0,0,0,0,2|2,0,0]=4 5161 B11R0.9 CCNC(=O)CCN(CC)CC 2230a_100000724800_100000737597 [0,0,0,0,0,2|2,0,0]=4 5162 B11R0.9 CCNC(=O)CCN(CC)CC 240690a_100015525214_100000750416 [0,0,0,0,0,2|2,0,0]=4 5163 B11R0.9 CCNC(=O)CCN(CC)CC 269956a_100000042499_100000737597 [0,0,0,0,0,2|2,0,0]=4 5164 B11R0.9 CCNC(=O)CCN(CC)CC 269982a_100000724800_100000737597 [0,0,0,0,0,2|2,0,0]=4 5165 B11R0.9 CCNC(=O)CNC(CC)CC 2230a_100000199018_100000183381 [0,0,0,0,0,2|1,0,0]=3 5166 B11R0.9 CCNC(=O)CNC(CC)CC 270004a_100016988866_100000210860 [0,0,0,0,0,2|1,0,0]=3 5167 B11R0.9 CCNC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000183381 [0,0,0,0,0,2|2,0,0]=4 5168 B11R0.9 CCNC(=O)COC(CC)CC 11a_100015525214_100012002705 [0,0,0,0,0,2|1,0,0]=3 5169 B11R0.9 CCNC(=O)COC(CC)CC 240690a_100015525214_100012002705 [0,0,0,0,0,2|1,0,0]=3 5170 B11R0.9 CCNC(=O)COC(CC)CC 527a_100015525214_100012002705 [0,0,0,0,0,2|1,0,0]=3 5171 B11R0.9 CCNC(=O)COC(CC)CC 7a_100000688536_100000183381 [0,0,0,0,0,2|1,0,0]=3 5172 B11R0.9 CCNC(=O)CSC(CC)CC 62a_100000183381_100000210505 [0,0,0,0,0,2|1,0,0]=3 5173 B11R0.9 CCNC(=O)CSC(CC)CC 62a_100000210505_100000183381 [0,0,0,0,0,2|1,0,0]=3 5174 B11R0.9 CCNC(=O)NCC(CC)CC 2708a_100015525214_100102946423 [0,0,0,0,0,2|1,0,0]=3 5175 B11R0.9 CCNC(=O)NCC(CC)CC 2708a_100102946423_100015525214 [0,0,0,0,0,2|1,0,0]=3 5176 B11R0.9 CCNC(=O)NCC(CC)CC 273464a_100015525214_100102946423 [0,0,0,0,0,2|1,0,0]=3 5177 B11R0.9 CCNC(=O)NCC(CC)CC 273464a_100102946423_100015525214 [0,0,0,0,0,2|1,0,0]=3 5178 B11R0.9 CCNC(=O)NCC(CC)CC 512a_100015525214_100102946423 [0,0,0,0,0,2|1,0,0]=3 5179 B11R0.9 CCNC(=O)NCC(CC)CC 512a_100102946423_100015525214 [0,0,0,0,0,2|1,0,0]=3 5180 B11R0.9 CCNC(=O)NCC(CC)OC 2708a_100000731041_100015525214 [0,0,0,0,0,2|2,0,0]=4 5181 B11R0.9 CCNC(=O)NCC(CC)OC 2708a_100015525214_100000731041 [0,0,0,0,0,2|2,0,0]=4 5182 B11R0.9 CCNC(=O)NCC(CC)OC 273464a_100000731041_100015525214 [0,0,0,0,0,2|2,0,0]=4 5183 B11R0.9 CCNC(=O)NCC(CC)OC 273464a_100015525214_100000731041 [0,0,0,0,0,2|2,0,0]=4 5184 B11R0.9 CCNC(=O)NCC(CC)OC 512a_100000731041_100015525214 [0,0,0,0,0,2|2,0,0]=4 5185 B11R0.9 CCNC(=O)NCC(CC)OC 512a_100015525214_100000731041 [0,0,0,0,0,2|2,0,0]=4 5186 B11R0.9 CCNC(=O)NNC(CC)CC 273464a_100015525214_100000756293 [0,0,0,0,0,2|1,0,0]=3 5187 B11R0.9 CCNC(=O)NNC(CC)CC 512a_100000756293_100015525214 [0,0,0,0,0,2|1,0,0]=3 5188 B11R0.9 CCNC(=O)NNC(CC)CC 512a_100015525214_100000756293 [0,0,0,0,0,2|1,0,0]=3 5189 B11R0.9 CCOC(=O)CCN(CC)CC 2230a_100000724800_100011206558 [0,0,0,0,0,2|1,0,0]=3 5190 B11R0.9 CCOC(=O)CCN(CC)CC 2230a_200011277716_100000210202 [0,0,0,0,0,2|1,0,0]=3 5191 B11R0.9 CCOC(=O)CCN(CC)CC 269956a_100000042499_100000765890 [0,0,0,0,0,2|1,0,0]=3 5192 B11R0.9 CCOC(=O)CCN(CC)CC 269982a_100000724800_100011206558 [0,0,0,0,0,2|1,0,0]=3 5193 B11R0.9 CCOC(=O)CCN(CC)CC 269982a_200011277716_100000204670 [0,0,0,0,0,2|1,0,0]=3 5194 B11R0.9 CCOC(=O)CCN(CC)CF 269982a_200011277716_100015361967 [0,0,0,0,0,2|2,0,0]=4 5195 B11R0.9 CCOC(=O)CNC(CC)CC 2230a_100000199018_100000188475 [0,0,0,0,0,2|0,0,0]=2 5196 B11R0.9 CCOC(=O)CNC(CO)CO 2230a_100000759517_100000188475 [0,0,0,0,0,2|2,0,0]=4 5197 B11R0.9 CCOC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000188475 [0,0,0,0,0,2|1,0,0]=3 5198 B11R0.9 CCOC(=O)COC(CC)CC 7a_100000688536_100000188475 [0,0,0,0,0,2|0,0,0]=2 5199 B11R0.9 CCOC(=O)COC(CCl)CCl 7a_100000737055_100000188475 [0,0,0,0,0,2|2,0,0]=4 5200 B11R0.9 CCOC(=O)COC(CF)CF 34a_100000032261_100000188475 [0,0,0,0,0,2|2,0,0]=4 5201 B11R0.9 CCOC(=O)COC(CF)CF 7a_100000032261_100000188475 [0,0,0,0,0,2|2,0,0]=4 5202 B11R0.9 CCOC(=O)COC(CN)CN 34a_100000031598_100000188475 [0,0,0,0,0,2|2,0,0]=4 5203 B11R0.9 CCOC(=O)CO[C@@H](CF)CCl 34a_100015614560_100000188475 [0,0,0,0,0,2|2,0,0]=4 5204 B11R0.9 CCOC(=O)CO[C@@H](CF)CCl 7a_100015614560_100000188475 [0,0,0,0,0,2|2,0,0]=4 5205 B11R0.9 CCOC(=O)CSC(CC)CC 62a_100000188475_100000210505 [0,0,0,0,0,2|0,0,0]=2 5206 B11R0.9 CCOC(=O)CSC(CC)CC 62a_100000210505_100000188475 [0,0,0,0,0,2|0,0,0]=2